643	643	881	0:SP2_SP2_SPD5	C[6a]	C[6,6a]	Si[3,4]	5:3:3:	3:3:2:	4:3:2:3:3:	Si[3,4]-5:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6,6a]-3:O[6]-2:	Si[3,6]-4:C[6a]-3:O[3]-2:N[4]-3:N[4]-3:	C[6a](Si[3,4]Si[3,6]N[4]2O[3])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a]Si[3,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	Si[3,4](Si[3,6]Si[6]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[3]Si[3,6])(N[4]C[4]C)2	C[6a](Si[3,4]Si[3,6]N[4]2O[3])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6a]Si[3,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	Si[3,4](Si[3,6]Si[6]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[3]Si[3,6])(N[4]C[4]C)2{1|Si<4>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	121.8125	6.276	2
643	643	881	0:SP2_SP2_SPD5	C[6a]	C[6a]	Si[3,4]	5:3:3:	3:3:1:	4:3:2:3:3:	Si[3,4]-5:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[3,6]-4:C[6a]-3:O[3]-2:N[4]-3:N[4]-3:	C[6a](Si[3,4]Si[3,6]N[4]2O[3])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]Si[3,4])(C[6a]C[6a]H)(H)	Si[3,4](Si[3,6]Si[6]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[3]Si[3,6])(N[4]C[4]C)2	C[6a](Si[3,4]Si[3,6]N[4]2O[3])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]Si[3,4])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|N<3>,2|O<2>}	Si[3,4](Si[3,6]Si[6]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[3]Si[3,6])(N[4]C[4]C)2{1|Si<4>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	121.8125	6.276	2
643	643	882	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(P[4]C[4]2)	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](C[4]C[6a]P[4])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(P[4]C[4]2){1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	P[4](C[4]C[6a]P[4])2(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.8615	1.995	2	119.8615	3.979	2	119.8615	3.979	2	120.3762	7.586	6	120.6068	18.641	18	120.6068	18.641	18
643	643	882	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:C[6a]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(P[4]N[4]2)	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](N[4]C[6a]Ge[4])(C[6a]C[6a]2)(N[4]Ge[4]C)	C[6a](C[6a]C[6a]H)2(P[4]N[4]2){1|Ge<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	P[4](N[4]C[6a]Ge[4])(C[6a]C[6a]2)(N[4]Ge[4]C){2|H<1>,4|C<3>}	120.6410	4.523	2	120.6410	20.454	2	120.6410	20.454	2	120.3762	7.586	6	120.6068	18.641	18	120.6068	18.641	18
643	643	882	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:H-1:	P[4]-3:P[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(P[4]P[4]2)	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](P[4]C[6a]P[4])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(P[4]P[4]2){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<3>}	P[4](P[4]C[6a]P[4])2(C[6a]C[6a]2){1|Cr<6>,2|H<1>,7|C<3>}	120.6260	3.564	2	120.6260	12.701	2	120.6260	12.701	2	120.3762	7.586	6	120.6068	18.641	18	120.6068	18.641	18
643	643	882	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:P[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(P[4]P[4]2)	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](P[4]C[6a]P[4]Cr)(P[4]C[6a]P[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(P[4]P[4]2){1|Cr<6>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	P[4](P[4]C[6a]P[4]Cr)(P[4]C[6a]P[4])(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.5207	5.930	4	120.5207	35.164	4	120.5207	35.164	4	120.5207	35.164	4	120.6068	18.641	18	120.6068	18.641	18
643	643	882	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	3:3:3:	3:3:4:	3:3:3:	P[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](P[4]C[4,6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CC3)	P[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](P[4]C[4,6a]2)(C[6a]C[6a]C)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CC3){2|C<4>,3|C<3>}	P[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	120.9940	0.042	4	120.9940	0.002	4	120.9940	0.002	4	120.8227	24.679	8	120.6068	18.641	18	120.6068	18.641	18
643	643	882	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	3:3:3:	3:3:4:	3:3:3:	P[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[4,6]-3:C[4]-3:C[6a]-3:	C[6a](P[4]N[4,6]C[4])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3)	P[4](N[4,6]C[4,6]C[6])(C[4]C[4,6]C)(C[6a]C[6a]2)	C[6a](P[4]N[4,6]C[4])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	P[4](N[4,6]C[4,6]C[6])(C[4]C[4,6]C)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	120.6515	7.583	4	120.6515	57.505	4	120.6515	57.505	4	120.8227	24.679	8	120.6068	18.641	18	120.6068	18.641	18
643	643	885	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga[5]	4:3:3:	3:3:1:	3:3:3:4:	Ga[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	C[6a](Ga[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Ga[5])(C[6a]C[6a]C)(H)	Ga[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC)	C[6a](Ga[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{5|C<3>,5|C<4>}	C[6a](C[6a]C[6a]Ga[5])(C[6a]C[6a]C)(H){1|N<4>,2|H<1>,3|C<3>}	Ga[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC){1|C<4>,6|C<3>,6|H<1>}	121.7895	2.980	4	121.7895	8.880	4	121.7895	8.880	4	121.7895	8.880	4	121.7895	8.880	4	121.7895	8.880	4
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6,6a]	S	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:S-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:O-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(O[6]C[5,6])	S(C[6a]C[6,6a]C[6a])(CC3)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SCO){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	S(C[6a]C[6,6a]C[6a])(CC3)(O)	120.2530	1.191	2	120.2530	1.418	2	120.2530	1.418	2	120.2530	1.418	2	119.6875	0.692	6	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6,6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(SC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S)	S(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(SC[6a]O){1|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,8|H<1>}	S(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	119.4048	0.600	4	119.4048	0.360	4	119.4048	0.360	4	119.4048	0.360	4	119.6875	0.692	6	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	S	3:3:3:	3:3:2:	3:4:2:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:N-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SCN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	S(C[6a]C[6a,6a]C[6a])(CH3)(NS)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SCN){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	S(C[6a]C[6a,6a]C[6a])(CH3)(NS)	116.4210	0.000	1	116.4210	0.000	1	116.4210	0.000	1	116.4210	0.000	1	120.3254	3.325	16	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(SC[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)	S(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(SC[6a]O){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S){1|H<1>,5|C<3>}	S(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(O)	121.1720	0.000	1	121.1720	0.000	1	118.9200	10.143	2	118.9200	10.143	2	120.3254	3.325	16	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(SC[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]S)(C[6a]C[6a]H)	S(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(SC[6a]O){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]S)(C[6a]C[6a]H){2|H<1>,4|C<3>}	S(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(O)	116.6680	0.000	1	116.6680	0.000	1	118.9200	10.143	2	118.9200	10.143	2	120.3254	3.325	16	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	S	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:S-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]S)	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]S){2|C<3>,2|C<4>,2|H<1>}	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	120.5480	1.744	2	120.5480	3.041	2	120.9485	1.587	4	120.6551	1.609	7	120.3254	3.325	16	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	S	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:S-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]S)2	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]S)2{2|C<3>,2|C<4>,2|H<1>}	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	121.3490	1.038	2	121.3490	1.078	2	120.9485	1.587	4	120.6551	1.609	7	120.3254	3.325	16	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	S	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]S)	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C){1|B<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]S){2|C<3>,4|H<1>}	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	119.8370	0.000	1	119.4665	0.275	2	120.2640	2.045	3	120.6551	1.609	7	120.3254	3.325	16	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	S	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]S)	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C){1|B<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]S){2|C<3>,4|H<1>}	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	119.0960	0.000	1	119.4665	0.275	2	120.2640	2.045	3	120.6551	1.609	7	120.3254	3.325	16	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	S	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)2	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)2{2|C<3>,4|H<1>}	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	121.8590	0.000	1	121.8590	0.000	1	120.2640	2.045	3	120.6551	1.609	7	120.3254	3.325	16	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:S-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(SCO)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(SCO){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]S){2|H<1>,4|C<3>}	S(C[6a]C[6a,6a]C[6a])(CH3)(O)	120.4843	0.340	3	120.4843	0.115	3	120.4843	0.115	3	121.1947	2.096	4	120.3254	3.325	16	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SCO)	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]S)	S(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SCO){1|H<1>,4|C<3>}	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]S){1|S<2>,3|C<3>,4|H<1>}	S(C[6a]C[6a,6a]C[6a])(CH3)(O)	123.3260	0.000	1	123.3260	0.000	1	123.3260	0.000	1	121.1947	2.096	4	120.3254	3.325	16	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	S	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]S)	S(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SCC){1|B<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]S){2|C<3>,4|H<1>}	S(C[6a]C[6a,6a]C[6a])(CH3)2	120.7905	0.620	2	120.7905	0.385	2	120.7905	0.385	2	120.7905	0.385	2	120.3254	3.325	16	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:2:3:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]O)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	S(C[6a]C[6a]N[6a])2(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])2(O)	120.1185	0.094	2	120.1185	0.009	2	120.1185	0.009	2	120.1185	0.009	2	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	119.5550	0.000	1	119.5550	0.000	1	119.5550	0.000	1	119.5550	0.000	1	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SCO)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(H)	S(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SCO){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(H){1|N<2>,1|S<2>,2|C<3>}	S(C[6a]C[6a]N[6a])(CH3)(O)	121.1037	0.280	3	121.1037	0.078	3	121.1037	0.078	3	121.1037	0.078	3	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	2:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(SC[6a]O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]S)(O)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(SC[6a]O){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]S)(O){1|O<2>,2|C<3>}	S(C[6a]C[6a]2)2(O)	114.9830	0.000	1	114.9830	0.000	1	114.9830	0.000	1	114.9830	0.000	1	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(SOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(SOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(O)2	119.8034	1.630	8	119.8587	1.838	12	119.8587	1.838	12	119.8587	1.838	12	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(SOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(SOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(O)2	119.4685	0.156	2	119.8587	1.838	12	119.8587	1.838	12	119.8587	1.838	12	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(SOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(SOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(O)2	120.4700	0.724	2	119.8587	1.838	12	119.8587	1.838	12	119.8587	1.838	12	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)2(SNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(SNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|Br<1>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(NC)(O)	119.5270	1.512	2	119.5736	0.569	10	119.5957	0.474	12	119.4365	0.998	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)2(SNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(SNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(NC)(O)	119.5853	0.636	8	119.5736	0.569	10	119.5957	0.474	12	119.4365	0.998	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)2(SNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(NS)(O)	C[6a](C[6a]C[6a]H)2(SNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(NS)(O)	119.7060	0.266	2	119.7060	0.071	2	119.5957	0.474	12	119.4365	0.998	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(OFe)(O)	119.4500	0.000	1	119.4500	0.000	1	119.1977	1.856	8	119.4365	0.998	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(OC[5,6])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(OC[5,6])(O)	117.0180	0.000	1	117.0180	0.000	1	119.1977	1.856	8	119.4365	0.998	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)2(SOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(SOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)	119.4900	0.321	2	119.4900	0.103	2	119.1977	1.856	8	119.4365	0.998	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)2(SOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(OSi)(O)	C[6a](C[6a]C[6a]H)2(SOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(OSi)(O)	119.7100	2.206	2	119.5335	2.484	4	119.1977	1.856	8	119.4365	0.998	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)2(SOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(OSi)(O)	C[6a](C[6a]C[6a]H)2(SOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(OSi)(O)	119.3570	1.568	2	119.5335	2.484	4	119.1977	1.856	8	119.4365	0.998	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:N-2:	C[6a](C[6a]C[6a]H)2(SNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(NC)2	C[6a](C[6a]C[6a]H)2(SNN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC)2	119.2897	1.052	8	119.2897	1.108	8	119.2897	1.108	8	119.2897	1.108	8	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]C)(H)	S(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(SC[6a]O){1|C<3>,4|C<4>}	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	118.5048	0.296	4	118.5048	0.087	4	118.5048	0.087	4	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:Br-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	123.1850	0.000	1	123.1850	0.000	1	123.1850	0.000	1	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(F)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(SC[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(F){1|C<3>,2|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	120.9267	1.051	4	120.9267	1.105	4	120.9267	1.105	4	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(F)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(F){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)2(O)	116.8752	1.247	4	116.8752	1.556	4	116.8752	1.556	4	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|Br<1>,1|C<3>,1|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	117.3890	0.000	1	117.3890	0.000	1	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	116.7905	0.047	2	116.7905	0.002	2	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(SC[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|F<1>,1|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	120.1788	1.053	4	120.1788	1.108	4	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5a]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	119.0470	0.000	1	119.0470	0.000	1	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	118.3230	0.924	3	118.3230	0.853	3	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	117.3400	0.649	3	117.3400	0.421	3	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5a]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5a]O){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	119.2720	0.941	6	119.2720	0.886	6	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	119.5140	0.000	1	119.3972	1.855	161	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	120.0147	0.988	3	119.3972	1.855	161	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5a]O){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	118.8327	0.974	6	119.3972	1.855	161	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|Br<1>,1|C<3>,1|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	119.4187	0.954	22	119.3972	1.855	161	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	119.5302	0.918	16	119.3972	1.855	161	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|F<1>,1|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	119.3420	1.551	30	119.3972	1.855	161	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	119.3152	1.490	68	119.3972	1.855	161	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	119.5158	1.556	12	119.3972	1.855	161	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	120.9373	0.978	3	119.3972	1.855	161	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	119.8820	2.490	4	119.8820	6.198	4	119.3288	1.968	185	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(SC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(SC[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|Pd<4>,1|C<3>,1|H<1>}	S(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	119.7380	0.303	2	119.7380	0.092	2	119.7380	0.092	2	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CCC)(O)	119.6929	1.611	14	119.7131	2.255	16	119.5077	1.390	34	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CCC)(O)	119.8550	0.191	2	119.7131	2.255	16	119.5077	1.390	34	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CCH)(O)	120.0500	1.649	2	119.3252	0.634	18	119.5077	1.390	34	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CCH)(O)	119.2346	0.677	16	119.3252	0.634	18	119.5077	1.390	34	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2)(O)	119.4195	1.439	4	119.4195	2.071	4	119.4195	2.071	4	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(SC[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)	119.4647	1.262	4	119.4647	1.592	4	119.4647	1.592	4	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(N)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|S<3>}	S(C[6a]C[6a]2)2(N)	119.2915	1.414	2	119.2990	2.642	4	119.2990	2.642	4	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(N)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(N)	119.3065	2.435	2	119.2990	2.642	4	119.2990	2.642	4	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(SC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(H){3|C<3>}	S(C[6a]C[6a]2)2(O)	118.7440	0.000	1	118.7440	0.000	1	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(H){3|C<3>}	S(C[6a]C[6a]2)2(O)	117.6172	0.574	4	118.6884	5.984	5	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(H){3|C<3>}	S(C[6a]C[6a]2)2(O)	122.9730	0.000	1	118.6884	5.984	5	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)2(O)	115.3950	0.000	1	117.1790	1.405	8	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)2(O)	116.7965	0.267	2	117.1790	1.405	8	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)2(O)	117.7000	0.570	2	117.1790	1.405	8	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)2(O)	117.6813	1.528	3	117.1790	1.405	8	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)2(O)	115.9471	1.891	14	115.9471	3.577	14	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	117.7730	0.000	1	117.7730	0.000	1	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|O<2>}	S(C[6a]C[6a]2)2(O)	114.0070	0.000	1	114.0070	0.000	1	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)2(O)	120.4180	0.000	1	120.4180	0.000	1	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<2>}	S(C[6a]C[6a]2)2(O)	118.6060	0.000	1	118.6060	0.000	1	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)2(O)	119.2210	0.000	1	119.2210	0.000	1	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)2(O)	119.9320	0.000	1	120.4453	0.210	3	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)2(O)	120.5890	0.000	1	120.4453	0.210	3	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)2(O)	120.8150	0.000	1	120.4453	0.210	3	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)2(O)	117.6740	0.000	1	117.6740	0.000	1	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|P<3>}	S(C[6a]C[6a]2)2(O)	120.8030	3.688	2	120.8030	13.603	2	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[6a]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(SC[6a]O){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	118.2830	0.000	1	118.2830	0.000	1	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(SC[6a]O){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	119.1700	0.000	1	119.1700	0.000	1	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	119.5414	1.759	8	119.5414	3.096	8	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(O)	119.7640	0.424	2	119.7640	0.180	2	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(SC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	119.1380	0.000	1	119.5695	2.987	110	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|Br<1>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)2(O)	119.5367	0.924	4	119.5695	2.987	110	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)2(O)	119.5996	1.832	73	119.5695	2.987	110	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)2(O)	120.2030	0.267	2	119.5695	2.987	110	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	119.4728	1.659	30	119.5695	2.987	110	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[6a]O)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(SC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	118.7130	0.000	1	118.7130	0.000	1	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)2(O)	118.5860	0.000	1	118.5860	0.000	1	119.0600	4.209	163	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)2(SNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(SNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(NCH)(O)	119.7370	1.461	20	119.7370	2.134	20	119.7553	2.446	30	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)2(SNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(SNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(NHH)(O)	119.7920	1.837	10	119.7920	3.374	10	119.7553	2.446	30	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O-1:	C[6a](C[6a]C[6a]H)2(SN[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(SN[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(N[5]C[5]2)(O)	119.8206	1.476	10	119.8206	2.177	10	119.8206	2.177	10	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:O-1:	C[6a](C[6a]C[6a]H)2(SN[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(SN[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)	119.4832	2.001	4	119.4832	4.002	4	119.4832	4.002	4	119.2832	2.858	453	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(NBr)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)2(NBr)	119.1880	3.329	2	119.2168	15.441	4	119.1813	5.573	52	119.0836	5.597	70	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(NBr)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(NBr)	119.2455	5.936	2	119.2168	15.441	4	119.1813	5.573	52	119.0836	5.597	70	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(NC)	118.9578	2.831	16	118.9578	8.016	16	119.1813	5.573	52	119.0836	5.597	70	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(NH)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|S<3>}	S(C[6a]C[6a]2)2(NH)	119.3600	0.998	2	119.5196	2.945	20	119.1813	5.573	52	119.0836	5.597	70	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(NH)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(NH)	119.5373	1.797	18	119.5196	2.945	20	119.1813	5.573	52	119.0836	5.597	70	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|S<3>}	S(C[6a]C[6a]2)2(NP)	118.4245	3.156	2	118.7766	6.063	8	119.1813	5.573	52	119.0836	5.597	70	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(NP)	118.8940	2.536	6	118.7766	6.063	8	119.1813	5.573	52	119.0836	5.597	70	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(NS)	119.1580	2.227	4	119.1580	4.959	4	119.1813	5.573	52	119.0836	5.597	70	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)2(OH)	114.2680	0.412	2	114.2680	0.169	2	118.5466	6.569	14	119.0836	5.597	70	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)2(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)2(OH)	119.8585	1.322	4	119.8585	1.749	4	118.5466	6.569	14	119.0836	5.597	70	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(OSn)	C[6a](C[6a]C[6a]H)2(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(OSn)	118.9604	2.240	8	118.9604	5.016	8	118.5466	6.569	14	119.0836	5.597	70	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:O-2:	C[6a](C[6a]C[6a]H)2(SNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(NCH)(OH)	C[6a](C[6a]C[6a]H)2(SNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(NCH)(OH)	119.8360	0.546	2	119.8360	0.298	2	119.8360	0.298	2	119.0836	5.597	70	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N-2:	C[6a](C[6a]C[6a]H)2(SN[6]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(N[6]Ge[6]2)(NSi)	C[6a](C[6a]C[6a]H)2(SN[6]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[6]Ge[6]2)(NSi)	119.5495	3.193	2	119.5495	10.193	2	119.5495	10.193	2	119.0836	5.597	70	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SC[5a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(SC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[5a]C[5a]2)(C[6a]C[6a]2)2	119.2971	3.437	8	119.2971	11.813	8	119.2971	11.813	8	119.0183	10.658	51	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(SC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)3	119.7498	3.566	4	119.0306	13.404	24	119.0306	13.404	24	119.0183	10.658	51	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(SC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)3	118.8868	3.753	20	119.0306	13.404	24	119.0306	13.404	24	119.0183	10.658	51	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)2(NHH)	122.2440	0.000	1	122.2440	0.000	1	118.8855	7.831	19	119.0183	10.658	51	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(NFeH)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(NFeH)	119.2963	1.913	4	119.2963	3.661	4	118.8855	7.831	19	119.0183	10.658	51	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(NHH)	118.6155	0.687	2	118.9838	8.965	12	118.8855	7.831	19	119.0183	10.658	51	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)2(NHH)	119.3660	4.964	2	118.9838	8.965	12	118.8855	7.831	19	119.0183	10.658	51	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(NHH)	118.9802	3.228	8	118.9838	8.965	12	118.8855	7.831	19	119.0183	10.658	51	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(SC[6a]N)	C[6a](C[6a]C[6a]S)2(H)	S(C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]H)2(SC[6a]N){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]S)2(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(NHH)	115.7950	0.440	2	115.7950	0.193	2	118.8855	7.831	19	119.0183	10.658	51	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[5,6a]H)(H)	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	118.7120	2.867	2	118.8910	2.986	4	117.7874	3.400	7	118.8722	9.580	31	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[5,6a]H)(H)	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	119.0700	0.783	2	118.8910	2.986	4	117.7874	3.400	7	118.8722	9.580	31	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(H)	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	116.3640	0.000	1	116.3160	0.036	3	117.7874	3.400	7	118.8722	9.580	31	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(H)	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	116.4760	0.000	1	116.3160	0.036	3	117.7874	3.400	7	118.8722	9.580	31	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(H)	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]C){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	116.1080	0.000	1	116.3160	0.036	3	117.7874	3.400	7	118.8722	9.580	31	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(CFFH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)2(CFFH)	121.4945	1.563	2	121.4945	2.444	2	119.1885	11.147	24	118.8722	9.580	31	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(SC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	118.9218	3.339	14	118.9218	11.151	14	119.1885	11.147	24	118.8722	9.580	31	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)2(SC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(CCHH)	119.0528	3.922	4	119.0528	15.385	4	119.1885	11.147	24	118.8722	9.580	31	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(SC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(CH3)	119.1050	4.126	4	119.1050	17.025	4	119.1885	11.147	24	118.8722	9.580	31	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]H)(H)	S(C[6a]C[6,6a]C[6a])(CC3)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SCO){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6,6a]C[6a])(CC3)(O)	118.9960	1.035	2	118.9960	1.072	2	118.9960	1.072	2	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(H)	S(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(SCO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(H){3|C<3>}	S(C[6a]C[6a,6a]C[6a])(CH3)(O)	117.7923	0.304	3	117.7923	0.092	3	116.9892	2.641	4	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(H)	S(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SCO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a,6a]C[6a])(CH3)(O)	114.5800	0.000	1	114.5800	0.000	1	116.9892	2.641	4	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	S(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(O)	122.0640	0.294	2	122.0640	0.087	2	122.0640	0.087	2	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(SCO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(H){3|C<3>}	S(C[6a]C[6a]2)(CH3)(O)	116.6730	0.000	1	116.6730	0.000	1	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SCO){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(CC3)(O)	117.3750	0.308	2	117.2028	0.923	4	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SCO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(CC3)(O)	117.0305	1.599	2	117.2028	0.923	4	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CC3)(O)	115.9230	3.216	2	115.9230	10.342	2	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CCHH)(O)	117.2400	0.000	1	117.2400	0.000	1	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(O)	118.1640	0.000	1	118.1640	0.000	1	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CH3)(O)	116.3450	0.000	1	116.3450	0.000	1	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(CCHH)(O)	114.9010	0.000	1	114.9010	0.000	1	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CH3)(O)	119.1703	0.603	3	118.2584	1.783	5	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(CH3)(O)	116.8905	0.408	2	118.2584	1.783	5	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){2|Cl<1>,1|C<3>}	S(C[6a]C[6a]2)(CC[6a]HH)(O)	118.8775	0.339	2	118.8775	0.115	2	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(CC3)(O)	117.0700	0.624	2	117.0700	0.389	2	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(CCHH)(O)	117.5430	1.290	4	117.6762	1.337	5	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(CCHH)(O)	118.2090	0.000	1	117.6762	1.337	5	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)	118.6470	0.000	1	118.6470	0.000	1	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CClHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(CClHH)(O)	115.8420	0.000	1	115.8420	0.000	1	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CC3)(O)	120.4020	0.000	1	118.0550	4.195	3	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CC3)(O)	116.8815	0.356	2	118.0550	4.195	3	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CCHH)(O)	119.4540	0.000	1	119.4540	0.000	1	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)	119.8540	0.120	2	119.8540	0.014	2	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CH3)(O)	120.1020	0.000	1	120.1020	0.000	1	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|S<2>}	S(C[6a]C[6a]2)(CCHH)(O)	117.8780	0.000	1	117.8780	0.000	1	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC3)(O)	119.4115	0.680	2	119.4115	0.462	2	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|Br<1>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(CCCH)(O)	120.7540	0.940	2	119.8330	2.629	6	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(CCCH)(O)	119.3455	0.892	2	119.8330	2.629	6	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CCCH)(O)	119.3995	2.986	2	119.8330	2.629	6	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CCHH)(O)	119.7833	1.152	44	119.7264	1.272	64	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|F<1>,1|H<1>}	S(C[6a]C[6a]2)(CCHH)(O)	119.4605	0.474	2	119.7264	1.272	64	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(CCHH)(O)	119.3280	1.868	6	119.7264	1.272	64	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CCHH)(O)	119.6597	0.683	6	119.7264	1.272	64	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(CCHH)(O)	119.6875	0.347	2	119.7264	1.272	64	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(CCHH)(O)	119.9510	0.715	4	119.7264	1.272	64	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[5]HH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CC[5]HH)(O)	119.9275	0.711	4	119.9275	0.506	4	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6]FeC)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CC[6]FeC)(O)	119.9620	0.293	2	119.9620	0.086	2	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CC[6]HH)(O)	119.7385	1.506	14	119.6265	2.346	18	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6]HH)(O)	119.2345	1.789	4	119.6265	2.346	18	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|F<1>,1|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)	119.4158	0.655	4	119.4591	0.424	16	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)	119.8160	0.535	4	119.4591	0.424	16	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)	119.3024	0.707	8	119.4591	0.424	16	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|F<1>,1|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(O)	119.7267	0.334	6	119.6610	0.099	9	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CC[6a]HH)(O)	119.6865	0.095	2	119.6610	0.099	9	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(O)	119.2160	0.000	1	119.6610	0.099	9	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CClCH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CClCH)(O)	119.2613	0.729	4	119.2613	0.531	4	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CClHH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(CClHH)(O)	119.3945	0.549	2	119.3945	0.302	2	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CFFH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CFFH)(O)	119.5250	1.461	2	119.5250	2.134	2	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CFeCH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CFeCH)(O)	119.4453	1.683	4	119.4453	2.833	4	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|Br<1>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(CH3)(O)	119.6040	0.041	2	119.2446	0.823	8	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<2>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(CH3)(O)	119.3785	1.208	2	119.2446	0.823	8	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(CH3)(O)	119.1400	0.013	2	119.2446	0.823	8	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CH3)(O)	118.8560	1.919	2	119.2446	0.823	8	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CHHS)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CHHS)(O)	119.1799	1.088	12	119.1799	1.184	12	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CN[5]HH)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CN[5]HH)(O)	119.8120	3.819	4	119.8120	14.583	4	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	S(C[6a]C[6a]2)(CH3)(O)	119.2420	0.000	1	119.6270	0.296	2	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(SCO){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(CH3)(O)	120.0120	0.000	1	119.6270	0.296	2	119.2688	2.089	194	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:O-1:	C[6a](C[6a]C[6a]H)2(SC[4]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]H)2(SC[4]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[4]C[4]2H)(O)	119.2843	1.148	19	119.2843	1.319	19	119.2843	1.319	19	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:O-1:	C[6a](C[6a]C[6a]H)2(SC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C[6a](C[6a]C[6a]H)2(SC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)	119.3615	0.764	4	119.4690	0.378	6	119.3352	3.248	10	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:O-1:	C[6a](C[6a]C[6a]H)2(SC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C[6a](C[6a]C[6a]H)2(SC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)	119.6840	0.062	2	119.4690	0.378	6	119.3352	3.248	10	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:O-1:	C[6a](C[6a]C[6a]H)2(SC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)	C[6a](C[6a]C[6a]H)2(SC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)	119.1595	4.878	2	119.1345	9.025	4	119.3352	3.248	10	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:O-1:	C[6a](C[6a]C[6a]H)2(SC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)	C[6a](C[6a]C[6a]H)2(SC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)	119.1095	1.809	2	119.1345	9.025	4	119.3352	3.248	10	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O-1:	C[6a](C[6a]C[6a]H)2(SC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)2(SC[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	119.5143	0.641	4	119.5836	0.761	10	119.5836	0.761	10	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O-1:	C[6a](C[6a]C[6a]H)2(SC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)2(SC[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|F<1>,1|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	119.6405	1.374	2	119.5836	0.761	10	119.5836	0.761	10	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O-1:	C[6a](C[6a]C[6a]H)2(SC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)2(SC[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	120.0745	0.875	2	119.5836	0.761	10	119.5836	0.761	10	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O-1:	C[6a](C[6a]C[6a]H)2(SC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)2(SC[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	119.1745	1.457	2	119.5836	0.761	10	119.5836	0.761	10	119.2689	2.124	241	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:2:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SCN)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(H)	S(C[6a]C[6a,6a]C[6a])(CH3)(NS)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SCN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	S(C[6a]C[6a,6a]C[6a])(CH3)(NS)	121.4810	0.000	1	121.4810	0.000	1	121.4810	0.000	1	119.9546	3.410	39	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(SCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(F)	S(C[6a]C[6a]2)(CC[6a]HH)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(SCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(F){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(NC)	118.9728	0.125	8	118.9728	0.016	8	118.9728	0.016	8	119.9546	3.410	39	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(SCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]HH)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(SCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|F<1>,1|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(NC)	121.6940	0.210	8	121.6940	0.044	8	120.3775	4.008	24	119.9546	3.410	39	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)2(SCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCHH)(NS)	C[6a](C[6a]C[6a]H)2(SCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CCHH)(NS)	119.0957	3.135	4	119.0957	9.826	4	120.3775	4.008	24	119.9546	3.410	39	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)2(SCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]HH)(NS)	C[6a](C[6a]C[6a]H)2(SCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CC[6a]HH)(NS)	119.9270	1.896	12	119.9270	3.593	12	120.3775	4.008	24	119.9546	3.410	39	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]HH)(OSn)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(OSn)	119.4800	1.762	4	119.4800	3.105	4	119.3182	4.108	6	119.9546	3.410	39	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)(OMn)	C[6a](C[6a]C[6a]H)2(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CH3)(OMn)	118.9945	3.303	2	118.9945	10.909	2	119.3182	4.108	6	119.9546	3.410	39	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:In-4:In-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SIn2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(InCSS)(InCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SIn2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(InCSS)(InCS)	120.1520	0.000	1	120.1520	0.000	1	120.1520	0.000	1	120.1520	0.000	1	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:C-4:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SBC)	C[6a](C[6a]C[5a,6a]S)(C[6a]C[6a]H)(H)	S(C[6a]C[5a,6a]C[6a])(BBr3)(CCCH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SBC){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]S)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	S(C[6a]C[5a,6a]C[6a])(BBr3)(CCCH)	122.1310	0.000	1	122.0727	0.049	3	122.0727	0.049	3	119.6105	15.080	34	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:C-4:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SBC)	C[6a](C[6a]C[5a,6a]S)(C[6a]C[6a]H)(H)	S(C[6a]C[5a,6a]C[6a])(BBr3)(CCCH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SBC){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]S)(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,1|S<3>}	S(C[6a]C[5a,6a]C[6a])(BBr3)(CCCH)	122.0435	0.305	2	122.0727	0.049	3	122.0727	0.049	3	119.6105	15.080	34	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SCC)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(H)	S(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SCC){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a,6a]C[6a])(CH3)2	116.6380	0.395	2	116.6380	0.156	2	116.6380	0.156	2	119.6105	15.080	34	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(SCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(SCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|B<4>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(CH3)2	120.2480	0.000	1	120.2480	0.000	1	119.5608	16.481	29	119.6105	15.080	34	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CClHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|S<3>}	S(C[6a]C[6a]2)(CClHH)(CH3)	120.7650	0.733	2	120.7650	0.537	2	119.5608	16.481	29	119.6105	15.080	34	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(SCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(SCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CCHH)(CH3)	119.2622	3.395	6	119.2622	11.528	6	119.5608	16.481	29	119.6105	15.080	34	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(SCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(SCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CH3)2	119.3225	6.209	2	119.4956	21.015	20	119.5608	16.481	29	119.6105	15.080	34	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(SCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(SCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CH3)2	119.7320	6.664	2	119.4956	21.015	20	119.5608	16.481	29	119.6105	15.080	34	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(SCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(SCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CH3)2	119.1995	4.586	2	119.4956	21.015	20	119.5608	16.481	29	119.6105	15.080	34	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(SCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(SCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(CH3)2	119.5289	4.763	14	119.4956	21.015	20	119.5608	16.481	29	119.6105	15.080	34	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(CC[5,5,6]HH)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	S(CC[5,5,6]HH)(C[6a]C[6a]2)(O)	116.4790	0.936	2	116.4790	0.876	2	116.4790	0.876	2	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[3,3]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[3,3]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[3,3]C[3,3]C[3]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[3,3]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[3,3]C[3,3]C[3]2)(C[6a]C[6a]2)(O)	119.5295	1.220	2	119.5295	1.488	2	119.5295	1.488	2	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[3,6]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[3,6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[3,6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]2)(O)	119.9232	0.766	4	119.9232	0.587	4	119.9232	0.587	4	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[3]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[3]C[3]O[3]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[3]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[3]C[3]O[3]C)(C[6a]C[6a]2)(O)	119.7295	1.671	2	119.3845	2.663	4	119.2080	1.765	6	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[3]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[3]C[3]O[3]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[3]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[3]C[3]O[3]C)(C[6a]C[6a]2)(O)	119.0395	2.173	2	119.3845	2.663	4	119.2080	1.765	6	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[3]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[3]C[3]O[3]S)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[3]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[3]C[3]O[3]S)(C[6a]C[6a]2)(O)	118.8550	0.679	2	118.8550	0.461	2	119.2080	1.765	6	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[4]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[4]C[4,6]C[4]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[4]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[4]C[4,6]C[4]H)(C[6a]C[6a]2)(O)	119.7330	0.454	2	119.7330	0.206	2	119.7330	0.206	2	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5,5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5,5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(O)	119.7202	0.750	4	119.7202	0.563	4	119.4008	0.895	10	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5,5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5,5]C[5,5]2C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5,5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[5,5]C[5,5]2C[5])(C[6a]C[6a]2)(O)	118.9270	2.157	2	118.9270	4.651	2	119.4008	0.895	10	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5,5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5,5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	119.3183	0.525	4	119.3183	0.276	4	119.4008	0.895	10	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5,6,6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5,6,6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(O)	119.3435	2.724	2	119.3435	7.423	2	119.3435	7.423	2	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5,6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5,6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	119.5240	1.684	2	119.5860	5.876	4	119.5860	5.876	4	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5,6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5,6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	119.6480	3.844	2	119.5860	5.876	4	119.5860	5.876	4	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5]C[5,6]C[5]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[5]C[5,6]C[5]C)(C[6a]C[6a]2)(O)	119.6855	3.352	2	119.6855	11.239	2	119.5839	1.875	18	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O)	119.4180	3.213	2	119.4180	10.324	2	119.5839	1.875	18	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(SC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(SC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	119.5931	0.887	14	119.5931	0.787	14	119.5839	1.875	18	119.3995	1.990	50	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(SC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(SC[6a]O){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	S(C[6a]C[6a]2)2(O)	122.0960	0.000	1	122.0960	0.000	1	122.0960	0.000	1	118.8576	5.208	8	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	119.8600	0.000	1	119.8600	0.000	1	119.8600	0.000	1	118.8576	5.208	8	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SC[6a]O)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OC)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)2(O)	114.3890	0.000	1	114.3890	0.000	1	118.1508	4.393	6	118.8576	5.208	8	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC){2|H<1>,3|C<3>}	S(C[6a]C[6a]2)2(O)	119.1630	0.000	1	118.6660	0.494	2	118.1508	4.393	6	118.8576	5.208	8	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC){2|H<1>,3|C<3>}	S(C[6a]C[6a]2)2(O)	118.1690	0.000	1	118.6660	0.494	2	118.1508	4.393	6	118.8576	5.208	8	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(OH)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	118.2400	0.000	1	118.2400	0.000	1	118.1508	4.393	6	118.8576	5.208	8	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	120.7550	0.000	1	119.4720	3.292	2	118.1508	4.393	6	118.8576	5.208	8	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	118.1890	0.000	1	119.4720	3.292	2	118.1508	4.393	6	118.8576	5.208	8	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	S(C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(NHH)	115.3920	0.000	1	115.3920	0.000	1	115.3920	0.000	1	115.3920	0.000	1	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CC3)(O)	114.5305	0.391	2	115.1360	1.176	3	118.5618	6.697	10	118.7967	6.635	11	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(CC3)(O)	116.3470	0.000	1	115.1360	1.176	3	118.5618	6.697	10	118.7967	6.635	11	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC){2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(CC3)(O)	121.5860	0.727	2	121.5860	0.528	2	118.5618	6.697	10	118.7967	6.635	11	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC[6a])	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC3)(O)	119.2800	0.000	1	119.2800	0.000	1	118.5618	6.697	10	118.7967	6.635	11	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CCHH)(O)	119.8060	0.000	1	119.8060	0.000	1	118.5618	6.697	10	118.7967	6.635	11	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)	119.4270	0.216	2	119.4270	0.047	2	118.5618	6.697	10	118.7967	6.635	11	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CH3)(O)	119.0980	0.000	1	119.0980	0.000	1	118.5618	6.697	10	118.7967	6.635	11	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SC)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SC){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CCHH)(O)	121.1460	0.000	1	121.1460	0.000	1	121.1460	0.000	1	118.7967	6.635	11	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	S(C[6a]C[6a]2)(OC[5,6])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(OC[5,6])(O)	125.3640	0.000	1	125.3640	0.000	1	125.3640	0.000	1	125.3640	0.000	1	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(CNO)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(SC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(CNO){2|H<1>,3|C<3>}	S(C[6a]C[6a]2)2(O)	119.4950	0.000	1	119.4950	0.000	1	119.4950	0.000	1	119.6872	3.007	19	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|S<3>,2|H<1>,6|C<3>}	S(C[6a]C[6a]2)2(O)	115.3960	0.000	1	115.3960	0.000	1	119.1548	4.575	5	119.6872	3.007	19	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]S){2|H<1>,6|C<3>}	S(C[6a]C[6a]2)2(O)	120.0945	0.461	4	120.0945	0.213	4	119.1548	4.575	5	119.6872	3.007	19	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCH)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCH){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	120.6930	0.000	1	120.6930	0.000	1	120.6930	0.000	1	119.6872	3.007	19	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){2|C<3>,2|H<1>,3|C<4>}	S(C[6a]C[6a]2)2(O)	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	119.6872	3.007	19	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]S)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]S){1|Br<1>,3|C<3>,3|H<1>}	S(C[6a]C[6a]2)2(O)	119.9890	0.686	2	119.9890	0.470	2	120.5894	1.138	8	119.6872	3.007	19	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]S)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]S){1|I<1>,3|C<3>,3|H<1>}	S(C[6a]C[6a]2)2(O)	121.6350	0.000	1	121.6350	0.000	1	120.5894	1.138	8	119.6872	3.007	19	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]S)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]S){1|I<1>,3|C<3>,3|H<1>}	S(C[6a]C[6a]2)2(O)	120.4970	0.000	1	120.6010	0.022	2	120.5894	1.138	8	119.6872	3.007	19	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]S)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]S){1|O<2>,3|C<3>,3|H<1>}	S(C[6a]C[6a]2)2(O)	120.7050	0.000	1	120.6010	0.022	2	120.5894	1.138	8	119.6872	3.007	19	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,2|H<1>,3|C<3>}	S(C[6a]C[6a]2)2(O)	120.6333	1.681	3	120.6333	2.826	3	120.5894	1.138	8	119.6872	3.007	19	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	S(C[6a]C[6a]2)2(O)	120.1040	0.000	1	120.1040	0.000	1	120.1040	0.000	1	119.6872	3.007	19	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	117.4620	2.649	2	117.4620	7.016	2	117.4620	7.016	2	119.6872	3.007	19	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(SCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]S)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(SCO){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]S){2|C<4>,2|H<1>,5|C<3>}	S(C[6a]C[6a]2)(CH3)(O)	120.8860	0.000	1	120.8860	0.000	1	120.8860	0.000	1	122.7320	5.601	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CCHH)(O)	125.2150	0.000	1	125.2150	0.000	1	123.3783	1.801	4	122.7320	5.601	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CH3)(O)	122.4320	0.000	1	122.4320	0.000	1	123.3783	1.801	4	122.7320	5.601	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CH3)(O)	122.3260	0.000	1	122.3260	0.000	1	123.3783	1.801	4	122.7320	5.601	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHO)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHO){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CC3)(O)	123.5400	0.000	1	123.5400	0.000	1	123.3783	1.801	4	122.7320	5.601	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]S)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SCO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]S){1|O<2>,1|S<3>,2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(CC3)(O)	121.0500	0.785	2	121.0500	0.616	2	120.8468	0.300	4	122.7320	5.601	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]S)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SCO){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]S){1|I<1>,3|C<3>,3|H<1>}	S(C[6a]C[6a]2)(CC3)(O)	120.6435	0.346	2	120.6435	0.120	2	120.8468	0.300	4	122.7320	5.601	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(NCC)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(NCC){2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(CCHH)(O)	120.4280	0.000	1	120.4280	0.000	1	122.7511	7.354	9	122.7320	5.601	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC3)(O)	122.5290	0.881	2	122.5290	0.776	2	122.7511	7.354	9	122.7320	5.601	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CCHH)(O)	119.3460	0.000	1	119.3460	0.000	1	122.7511	7.354	9	122.7320	5.601	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)	119.0340	0.000	1	119.0340	0.000	1	122.7511	7.354	9	122.7320	5.601	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CCHH)(O)	124.9117	0.875	3	124.9117	0.765	3	122.7511	7.354	9	122.7320	5.601	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	S(C[6a]C[6a]2)(CClHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CClHH)(O)	126.1590	0.000	1	126.1590	0.000	1	122.7511	7.354	9	122.7320	5.601	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:1:	N[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:O-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SCO)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO)	S(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SCO){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(CH3)(O)	126.0470	0.083	2	126.0470	0.007	2	126.0470	0.007	2	122.7320	5.601	20	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SCC)	S(C[6a]C[6a]2)(CClHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SCC){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CClHH)(CH3)	119.2080	0.380	2	119.2080	0.145	2	119.2080	0.145	2	119.2080	0.145	2	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	S(CC[5,5,6]HH)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	S(CC[5,5,6]HH)(C[6a]C[6a]2)(O)	122.7135	1.080	2	122.7135	1.166	2	122.7135	1.166	2	122.7135	1.166	2	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]C)2(SNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	S(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]C)2(SNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,2|C<4>}	S(C[6a]C[6a]2)(NC)(O)	119.1375	2.969	6	119.1375	8.812	6	119.1375	8.812	6	119.1801	7.910	9	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	S(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(OFe)(O)	119.7830	0.000	1	119.7830	0.000	1	119.2653	9.592	3	119.1801	7.910	9	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]C)2(SOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	S(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(SOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,2|C<4>}	S(C[6a]C[6a]2)(OC)(O)	119.0065	4.334	2	119.0065	18.782	2	119.2653	9.592	3	119.1801	7.910	9	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,2|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	121.2845	0.139	2	121.2845	0.019	2	121.2845	0.019	2	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHO)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHO){1|C<3>,1|F<1>,1|H<1>}	S(C[6a]C[6a]2)2(O)	124.2862	1.127	4	124.2862	1.271	4	123.0238	3.993	20	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC3)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC3){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	119.6880	0.000	1	119.6880	0.000	1	123.0238	3.993	20	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	125.1600	0.000	1	125.1600	0.000	1	123.0238	3.993	20	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCN)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCN){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	125.8940	0.086	2	125.8940	0.007	2	123.0238	3.993	20	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCFH)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCFH){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	125.6230	0.000	1	125.6230	0.000	1	123.0238	3.993	20	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	121.9765	0.175	2	121.9765	0.031	2	123.0238	3.993	20	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHO)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHO){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	121.4310	0.000	1	121.4310	0.000	1	123.0238	3.993	20	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[5]CC)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[5]CC){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	121.1505	0.046	2	121.1505	0.002	2	123.0238	3.993	20	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)2(O)	124.1790	0.000	1	122.0177	3.575	3	123.0238	3.993	20	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	120.9370	0.379	2	122.0177	3.575	3	123.0238	3.993	20	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHS)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(O)	121.6660	0.363	2	121.6660	0.132	2	123.0238	3.993	20	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	S(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)2(O)	124.0020	0.000	1	124.0020	0.000	1	123.0238	3.993	20	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]C)2(SNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH)	S(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)2(SNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH){1|C<3>,2|C<4>}	S(C[6a]C[6a]2)(NCH)(O)	119.1800	4.518	2	119.1800	20.416	2	119.2515	18.102	8	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]C)2(SNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	S(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]C)2(SNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,2|C<4>}	S(C[6a]C[6a]2)(NC[5]H)(O)	119.3485	4.922	4	119.3485	24.226	4	119.2515	18.102	8	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]C)2(SNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	S(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]C)2(SNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,2|C<4>}	S(C[6a]C[6a]2)(NC[6]H)(O)	119.1290	5.791	2	119.1290	33.538	2	119.2515	18.102	8	121.9019	9.818	30	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCO)	S(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCO){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(OH)	125.6705	0.655	2	125.6705	0.430	2	125.6705	0.430	2	125.6705	0.430	2	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	S(C[6a]C[6a]2)2(CFFH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)2(CFFH)	114.8230	1.426	2	114.8230	2.032	2	114.8230	2.032	2	114.8230	2.032	2	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC3)(O)	122.8530	4.318	2	122.8530	18.642	2	120.4760	19.194	14	120.4760	19.194	14	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	S(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CCHH)(O)	120.1780	0.000	1	120.1780	0.000	1	120.4760	19.194	14	120.4760	19.194	14	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	S(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(O)	119.2910	0.000	1	119.2910	0.000	1	120.4760	19.194	14	120.4760	19.194	14	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CH3)(O)	120.4750	0.000	1	120.4750	0.000	1	120.4760	19.194	14	120.4760	19.194	14	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	S(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CH3)(O)	118.7720	0.140	3	118.7720	0.020	3	120.4760	19.194	14	120.4760	19.194	14	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CC3)(O)	124.7700	0.000	1	124.7700	0.000	1	120.4760	19.194	14	120.4760	19.194	14	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHO)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHO){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CC3)(O)	125.5660	0.000	1	125.5660	0.000	1	120.4760	19.194	14	120.4760	19.194	14	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)2(SCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CC[6a]HO)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]C)2(SCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CC3)(O)	124.5905	2.036	2	124.5905	4.144	2	120.4760	19.194	14	120.4760	19.194	14	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)2(SCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	S(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]C)2(SCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CC3)(O)	112.5905	1.621	2	112.5905	2.629	2	120.4760	19.194	14	120.4760	19.194	14	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:In-4:In-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SIn2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	S(C[6a]C[6a]2)(InCSS)(InCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SIn2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(InCSS)(InCS)	117.8080	0.000	1	117.8080	0.000	1	117.8080	0.000	1	117.8080	0.000	1	119.4440	4.712	1140	119.4574	4.679	1162
643	643	887	0:SP2_SP2_SP3	C[6a]	C[6a]	S	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(SCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(BF3)	S(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(SCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(BF3){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CH3)2	115.6810	0.000	1	115.6810	0.000	1	115.6810	0.000	1	115.6810	0.000	1	119.4440	4.712	1140	119.4574	4.679	1162
643	643	888	0:SP2_SP2_SP2	C[6a]	C[6a]	Se[5]	3:3:3:	3:3:1:	3:3:3:	Se[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](Se[5]C[5,6a]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Se[5])(C[6a]C[6a]H)(H)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](Se[5]C[5,6a]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	123.9500	0.000	1	123.9500	0.000	1	120.7317	10.102	3	120.7317	10.102	3	118.7433	22.550	4	118.7433	22.550	4
643	643	888	0:SP2_SP2_SP2	C[6a]	C[6a]	Se[5]	3:3:3:	3:3:1:	3:3:3:	Se[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](Se[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Se[5])(C[6a]C[6a]H)(H)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](Se[5]C[5,6a]N[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Se[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	119.1225	2.160	2	119.1225	4.667	2	120.7317	10.102	3	120.7317	10.102	3	118.7433	22.550	4	118.7433	22.550	4
643	643	888	0:SP2_SP2_SP2	C[6a]	C[6a]	Se[5]	3:3:3:	3:3:3:	3:3:3:	Se[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](Se[5]C[5,6a]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Se[5])(C[6a]C[6a]H)(CNO)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](Se[5]C[5,6a]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Se[5])(C[6a]C[6a]H)(CNO){1|N<3>,2|C<3>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	112.7780	0.000	1	112.7780	0.000	1	112.7780	0.000	1	112.7780	0.000	1	118.7433	22.550	4	118.7433	22.550	4
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	As	3:3:4:	3:3:3:	3:3:3:1:	C[6a,6a]-3:C[6a]-3:As-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2O)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]As)(C[6a]C[6a]H)	As(C[6a]C[6a,6a]C[6a])3(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2O){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]As)(C[6a]C[6a]H){2|H<1>,4|C<3>}	As(C[6a]C[6a,6a]C[6a])3(O)	121.8140	0.027	2	121.8140	0.001	2	121.8140	0.001	2	121.8140	0.001	2	121.8140	0.001	2	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:2:4:	3:3:1:	3:3:3:1:	C[6a]-3:N[6a]-2:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6a]2O)	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]N[6a])3(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	As(C[6a]C[6a]N[6a])3(O)	121.3227	0.268	3	121.3227	0.072	3	121.3227	0.072	3	121.3227	0.072	3	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:2:1:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:O-1:	C[6a](C[6a]C[6a]H)2(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OH)(O)2	C[6a](C[6a]C[6a]H)2(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	As(C[6a]C[6a]2)(OH)(O)2	120.1952	1.400	10	120.1745	2.929	14	120.1745	2.929	14	120.1745	2.929	14	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:2:1:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:O-1:	C[6a](C[6a]C[6a]H)2(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OH)(O)2	C[6a](C[6a]C[6a]H)2(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(OH)(O)2	120.1227	2.609	4	120.1745	2.929	14	120.1745	2.929	14	120.1745	2.929	14	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:2:2:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OAs)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	As(C[6a]C[6a]2)(OAs)(OH)(O)	119.1010	0.000	1	119.1010	0.000	1	118.9534	4.676	15	118.9534	4.676	15	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:2:2:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OMn)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	As(C[6a]C[6a]2)(OMn)(OH)(O)	114.8250	1.597	2	114.8250	2.549	2	118.9534	4.676	15	118.9534	4.676	15	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:2:2:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:O-1:	C[6a](C[6a]C[6a]H)2(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OCd)(OH)(O)	C[6a](C[6a]C[6a]H)2(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(OCd)(OH)(O)	119.7995	0.630	2	119.7995	0.397	2	118.9534	4.676	15	118.9534	4.676	15	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:2:2:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:O-1:	C[6a](C[6a]C[6a]H)2(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OH)2(O)	C[6a](C[6a]C[6a]H)2(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	As(C[6a]C[6a]2)(OH)2(O)	119.3750	1.520	2	119.5422	1.428	8	118.9534	4.676	15	118.9534	4.676	15	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:2:2:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:O-1:	C[6a](C[6a]C[6a]H)2(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OH)2(O)	C[6a](C[6a]C[6a]H)2(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	As(C[6a]C[6a]2)(OH)2(O)	119.5980	1.234	6	119.5422	1.428	8	118.9534	4.676	15	118.9534	4.676	15	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:2:2:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:O-1:	C[6a](C[6a]C[6a]H)2(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OSi)(OH)(O)	C[6a](C[6a]C[6a]H)2(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(OSi)(OH)(O)	119.8065	3.570	2	119.8065	12.746	2	118.9534	4.676	15	118.9534	4.676	15	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:2:2:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OCd)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	As(C[6a]C[6a]2)(OCd)2(OH)	114.1720	0.000	1	114.1720	0.000	1	116.2903	7.265	7	116.2903	7.265	7	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:2:2:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OMn)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	As(C[6a]C[6a]2)(OMn)(OH)2	116.0010	0.000	1	116.0010	0.000	1	116.2903	7.265	7	116.2903	7.265	7	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:2:2:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OMn)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	As(C[6a]C[6a]2)(OMn)2(OH)	114.8675	0.609	2	114.8675	0.371	2	116.2903	7.265	7	116.2903	7.265	7	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:2:2:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OZn)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	As(C[6a]C[6a]2)(OZn)2(OH)	114.1520	0.000	1	114.1520	0.000	1	116.2903	7.265	7	116.2903	7.265	7	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:2:2:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:O-2:	C[6a](C[6a]C[6a]H)2(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OMn)2(OH)	C[6a](C[6a]C[6a]H)2(AsO3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	As(C[6a]C[6a]2)(OMn)2(OH)	118.8220	0.000	1	118.8220	0.000	1	116.2903	7.265	7	116.2903	7.265	7	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:2:2:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:O-2:	C[6a](C[6a]C[6a]H)2(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]N)(H)	As(C[6a]C[6a]2)(OMn)2(OH)	C[6a](C[6a]C[6a]H)2(AsO3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	As(C[6a]C[6a]2)(OMn)2(OH)	121.1500	0.000	1	121.1500	0.000	1	116.2903	7.265	7	116.2903	7.265	7	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:2:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OMn2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	As(C[6a]C[6a]2)(OMn2)(OH)(O)	115.6480	0.000	1	115.6480	0.000	1	118.2980	6.809	3	118.2980	6.809	3	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:2:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-3:O-2:O-1:	C[6a](C[6a]C[6a]H)2(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OCd2)(OH)(O)	C[6a](C[6a]C[6a]H)2(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(OCd2)(OH)(O)	119.6230	1.756	2	119.6230	3.085	2	118.2980	6.809	3	118.2980	6.809	3	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:1:	C[6a,6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2O)	C[6a](C[6a]C[6a,6a]As)(C[6a]C[6a,6a]H)(H)	As(C[6a]C[6a,6a]C[6a])3(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]As)(C[6a]C[6a,6a]H)(H){3|C<3>}	As(C[6a]C[6a,6a]C[6a])3(O)	117.9355	0.026	2	117.9355	0.001	2	117.9355	0.001	2	119.2709	2.845	61	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]2Br)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(Br)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]2Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]2)3(Br)	116.8947	1.981	3	116.8947	3.925	3	118.9741	2.201	33	119.2709	2.845	61	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]H)2(AsC[6a]2Br)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(Br)	C[6a](C[6a]C[6a]H)2(AsC[6a]2Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]2)3(Br)	119.0757	1.525	12	119.1820	1.665	30	118.9741	2.201	33	119.2709	2.845	61	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]H)2(AsC[6a]2Br)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(Br)	C[6a](C[6a]C[6a]H)2(AsC[6a]2Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(Br)	119.2529	1.150	18	119.1820	1.665	30	118.9741	2.201	33	119.2709	2.845	61	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]H)2(AsC[6a]2I)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]H)2(AsC[6a]2I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]2)3(I)	119.6568	0.686	12	119.7503	3.514	26	119.7503	3.514	26	119.2709	2.845	61	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]H)2(AsC[6a]2I)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]H)2(AsC[6a]2I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(I)	119.8304	2.519	14	119.7503	3.514	26	119.7503	3.514	26	119.2709	2.845	61	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(AsC[6a]2N)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(AsC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(NC)	119.6600	0.812	6	119.6600	0.660	6	119.8568	1.780	12	119.6739	1.948	48	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(AsC[6a]2N)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(NS)	C[6a](C[6a]C[6a]H)2(AsC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(NS)	120.0537	1.778	6	120.0537	3.163	6	119.8568	1.780	12	119.6739	1.948	48	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(AsC[6a]2O)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(OB)	C[6a](C[6a]C[6a]H)2(AsC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(OB)	119.5550	2.410	6	119.5550	5.809	6	119.6129	2.041	36	119.6739	1.948	48	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(AsC[6a]2O)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(AsC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(OH)	119.2000	1.392	6	119.2000	1.937	6	119.6129	2.041	36	119.6739	1.948	48	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(AsC[6a]2O)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(OMo)	C[6a](C[6a]C[6a]H)2(AsC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(OMo)	119.4157	0.393	6	119.4157	0.155	6	119.6129	2.041	36	119.6739	1.948	48	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(AsC[6a]2O)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(OSn)	C[6a](C[6a]C[6a]H)2(AsC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(OSn)	119.8357	1.323	18	119.8357	1.750	18	119.6129	2.041	36	119.6739	1.948	48	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:3:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:As-3:	C[6a](C[6a]C[6a]H)2(AsC[6a]2As)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(AsC[6a]C)	C[6a](C[6a]C[6a]H)2(AsC[6a]2As){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(AsC[6a]C)	119.6880	1.415	6	119.6880	2.001	6	119.6880	2.001	6	119.6131	1.968	610	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:3:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(AsC[6a]2C)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(CAsC)	C[6a](C[6a]C[6a]H)2(AsC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(CAsC)	118.5575	1.341	24	118.5575	1.799	24	118.9209	2.386	36	119.6131	1.968	610	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:3:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(AsC[6a]2C)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]H)2(AsC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(CCC)	119.6858	2.047	6	119.6858	4.189	6	118.9209	2.386	36	119.6131	1.968	610	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:3:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(AsC[6a]2C)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(CSeC)	C[6a](C[6a]C[6a]H)2(AsC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(CSeC)	119.6093	1.527	6	119.6093	2.332	6	118.9209	2.386	36	119.6131	1.968	610	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:3:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]2)4	122.3750	0.000	1	119.6575	14.770	2	119.6525	1.873	535	119.6131	1.968	610	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:3:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	As(C[6a]C[6a]2)4	116.9400	0.000	1	119.6575	14.770	2	119.6525	1.873	535	119.6131	1.968	610	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:3:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(AsC[6a]3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(AsC[6a]3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)4	119.6525	1.361	533	119.6525	1.852	533	119.6525	1.873	535	119.6131	1.968	610	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:3:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(AsC[6a]2P)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(PAsC)	C[6a](C[6a]C[6a]H)2(AsC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(PAsC)	119.3802	1.770	11	119.3802	3.131	11	119.3462	2.534	23	119.6131	1.968	610	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:3:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(AsC[6a]2P)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(PC[6a]P)	C[6a](C[6a]C[6a]H)2(AsC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(PC[6a]P)	119.3151	1.490	12	119.3151	2.219	12	119.3462	2.534	23	119.6131	1.968	610	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:3:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-3:O-3:O-3:	C[6a](C[6a]C[6a]H)2(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OMo2)3	C[6a](C[6a]C[6a]H)2(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	As(C[6a]C[6a]2)(OMo2)3	120.8931	1.408	8	120.5663	2.235	10	120.5663	2.235	10	119.6131	1.968	610	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:3:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-3:O-3:O-3:	C[6a](C[6a]C[6a]H)2(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OMo2)3	C[6a](C[6a]C[6a]H)2(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(OMo2)3	119.2590	1.403	2	120.5663	2.235	10	120.5663	2.235	10	119.6131	1.968	610	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:3:4:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(AsC[6a]2C)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]H)2(AsC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(CCHH)	119.3691	1.141	12	119.3691	1.302	12	119.3691	1.302	12	119.3691	1.302	12	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:4:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a](C[6a]C[6a]H)2(AsC[6a]CS)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)2(CCHH)(S)	C[6a](C[6a]C[6a]H)2(AsC[6a]CS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)2(CCHH)(S)	120.3062	1.610	4	120.3062	2.592	4	120.3062	2.592	4	120.3062	2.592	4	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:4:4:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:As-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsAsCC)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(AsC[6a]C)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsAsCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]2)(AsC[6a]C)(CH3)2	116.7970	0.000	1	116.7970	0.000	1	118.6863	2.903	3	119.6218	1.955	11	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:4:4:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:As-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(AsAsCC)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(AsC[6a]C)(CH3)2	C[6a](C[6a]C[6a]H)2(AsAsCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(AsC[6a]C)(CH3)2	119.6310	0.672	2	119.6310	0.451	2	118.6863	2.903	3	119.6218	1.955	11	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:1:	3:3:4:4:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:Ga-4:	C[6a](C[6a]C[6a]H)2(AsC[6a]GaC)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)2(CCHH)(GaI3)	C[6a](C[6a]C[6a]H)2(AsC[6a]GaC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)2(CCHH)(GaI3)	119.9726	1.203	8	119.9726	1.447	8	119.9726	1.447	8	119.6218	1.955	11	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:3:	3:2:2:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-2:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(NOO)	As(C[6a]C[6a]2)(OAs)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(OAs)(OH)(O)	123.1900	0.000	1	123.1900	0.000	1	123.1900	0.000	1	123.1900	0.000	1	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:3:	3:3:3:3:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHN)	As(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)4	121.5900	0.000	1	121.5900	0.000	1	121.5900	0.000	1	121.5900	0.000	1	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:4:	3:2:2:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-2:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(SO3)	As(C[6a]C[6a]2)(OMn)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(SO3){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(OMn)(OH)(O)	125.9070	1.404	2	125.9070	1.972	2	125.9070	1.972	2	125.9070	1.972	2	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:4:	3:2:2:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-2:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(SO3)	As(C[6a]C[6a]2)(OCd)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(SO3){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(OCd)2(OH)	126.8300	0.000	1	126.8300	0.000	1	125.9718	1.201	5	125.9718	1.201	5	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:4:	3:2:2:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-2:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(SO3)	As(C[6a]C[6a]2)(OMn)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(SO3){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(OMn)(OH)2	124.1030	0.000	1	124.1030	0.000	1	125.9718	1.201	5	125.9718	1.201	5	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:4:	3:2:2:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-2:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(SO3)	As(C[6a]C[6a]2)(OMn)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(SO3){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(OMn)2(OH)	126.2930	0.481	2	126.2930	0.231	2	125.9718	1.201	5	125.9718	1.201	5	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:4:	3:2:2:2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-2:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(SO3)	As(C[6a]C[6a]2)(OZn)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(SO3){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(OZn)2(OH)	126.3400	0.000	1	126.3400	0.000	1	125.9718	1.201	5	125.9718	1.201	5	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:4:	3:3:2:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(SO3)	As(C[6a]C[6a]2)(OMn2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(AsO3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(SO3){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(OMn2)(OH)(O)	125.1720	0.000	1	125.1720	0.000	1	125.1720	0.000	1	125.1720	0.000	1	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:4:	3:3:3:1:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]2Br)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3)	As(C[6a]C[6a]2)3(Br)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]2Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(Br)	121.9143	1.353	3	121.9143	1.830	3	121.9143	1.830	3	121.9143	1.830	3	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:4:	3:3:3:3:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CC[6a]CO)	As(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)4	115.9520	0.000	1	115.9520	0.000	1	115.9520	0.000	1	115.9520	0.000	1	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	3:3:4:	3:3:4:	3:3:4:4:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:As-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsAsCC)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	As(C[6a]C[6a]2)(AsC[6a]C)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsAsCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(AsC[6a]C)(CH3)2	122.9680	0.000	1	122.9680	0.000	1	122.9680	0.000	1	122.9680	0.000	1	119.6508	2.708	807	119.6562	2.713	809
643	643	890	0:SP2_SP2_SP3	C[6a]	C[6a]	As	4:3:2:	3:3:1:	3:3:3:2:	As-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C[6a](AsC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(OCo)	C[6a](AsC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	As(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(OCo)	122.2290	0.590	4	122.2290	0.348	4	122.2290	0.348	4	122.2290	0.348	4	119.6508	2.708	807	119.6562	2.713	809
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6,6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH3){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(H)3	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH3){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)3	117.7910	0.000	1	117.7910	0.000	1	117.7910	0.000	1	117.7910	0.000	1	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)3	118.3838	0.157	5	118.4625	0.955	11	118.8821	2.244	14	118.8821	2.244	14	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)3	118.2380	0.426	2	118.4625	0.955	11	118.8821	2.244	14	118.8821	2.244	14	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)3	118.6730	1.729	4	118.4625	0.955	11	118.8821	2.244	14	118.8821	2.244	14	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3){1|H<1>,1|N<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)3	121.7360	0.454	2	121.7360	0.206	2	118.8821	2.244	14	118.8821	2.244	14	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(NH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(NH3){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)3	117.7910	0.000	1	117.7910	0.000	1	118.8821	2.244	14	118.8821	2.244	14	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:1:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	118.9840	0.192	2	118.9840	0.037	2	118.8863	0.047	3	118.8863	0.047	3	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:1:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)(H)2	118.6910	0.000	1	118.6910	0.000	1	118.8863	0.047	3	118.8863	0.047	3	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|B<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	120.9910	0.000	1	120.9910	0.000	1	118.4707	4.795	3	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2{2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	117.3850	0.000	1	117.2105	0.061	2	118.4707	4.795	3	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2{2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	117.0360	0.000	1	117.2105	0.061	2	118.4707	4.795	3	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	119.3747	0.537	3	119.3747	0.288	3	119.3747	0.288	3	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCCH)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCCH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|Br<1>,2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	117.5180	0.000	1	117.5180	0.000	1	118.6265	2.458	2	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	119.7350	0.000	1	119.7350	0.000	1	118.6265	2.458	2	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N){4|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	120.8240	0.307	2	120.8240	0.094	2	118.6550	1.547	66	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	120.9650	0.076	2	120.9650	0.006	2	118.6550	1.547	66	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|F<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	119.3615	0.078	2	119.3615	0.006	2	118.6550	1.547	66	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2(H)	119.5217	0.490	4	119.5217	0.240	4	118.6550	1.547	66	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	117.7702	0.610	5	117.5903	0.343	7	118.6550	1.547	66	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	117.1405	0.011	2	117.5903	0.343	7	118.6550	1.547	66	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	125.0220	0.000	1	125.0220	0.000	1	118.6550	1.547	66	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|P<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	119.8545	0.187	2	118.3779	0.461	46	118.6550	1.547	66	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,2|H<1>,2|N<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	118.6720	0.000	1	118.3779	0.461	46	118.6550	1.547	66	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	118.3023	0.617	43	118.3779	0.461	46	118.6550	1.547	66	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)2{1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	118.6520	0.908	2	118.6520	0.824	2	118.6550	1.547	66	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){4|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	121.9940	0.000	1	121.9940	0.000	1	121.9940	0.000	1	118.7201	1.698	75	118.7399	1.698	93	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)3	123.1680	0.000	1	123.1680	0.000	1	121.8155	3.659	2	121.8155	3.659	2	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)3	120.4630	0.000	1	120.4630	0.000	1	121.8155	3.659	2	121.8155	3.659	2	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:4:	3:3:1:	3:3:1:1:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(H)2	116.3600	1.038	2	116.3600	1.078	2	116.3600	1.078	2	116.3600	1.078	2	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:4:	3:3:4:	3:4:4:1:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCCH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CHHO)	N(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CHHO){1|C<3>,1|O<2>}	N(C[6a]C[6a]N[6a])(CH3)2(H)	120.9170	0.000	1	120.9170	0.000	1	120.9170	0.000	1	120.9170	0.000	1	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:2:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	120.4330	0.000	1	120.4330	0.000	1	120.4330	0.000	1	120.0690	1.560	4	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:2:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	120.5660	0.000	1	119.9477	2.251	3	119.9477	2.251	3	120.0690	1.560	4	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:2:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.2370	0.000	1	119.9477	2.251	3	119.9477	2.251	3	120.0690	1.560	4	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:2:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	121.0400	0.000	1	119.9477	2.251	3	119.9477	2.251	3	120.0690	1.560	4	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6,6a]C[6a])(H)3	120.1280	0.000	1	120.1280	0.000	1	120.1280	0.000	1	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)3	115.7180	0.383	2	118.2777	2.196	13	118.4195	2.308	14	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)3	118.7431	1.035	11	118.2777	2.196	13	118.4195	2.308	14	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH3){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(H)3	120.2630	0.000	1	120.2630	0.000	1	118.4195	2.308	14	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)3	118.5670	0.000	1	118.5670	0.000	1	118.5670	0.000	1	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(NH3)	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]N)(H){1|Br<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(H)3	119.0700	0.000	1	119.0700	0.000	1	118.7340	0.487	5	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH3){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(H)3	117.6700	0.000	1	118.7163	0.878	3	118.7340	0.487	5	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH3){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(H)3	119.2395	0.337	2	118.7163	0.878	3	118.7340	0.487	5	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)3	118.4510	0.000	1	118.4510	0.000	1	118.7340	0.487	5	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)3	119.4800	0.000	1	119.4800	0.000	1	119.4800	0.000	1	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(NH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)3	120.4640	0.000	1	120.4640	0.000	1	120.6946	1.235	5	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.6390	0.000	1	120.1170	0.457	2	120.6946	1.235	5	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	120.5950	0.000	1	120.1170	0.457	2	120.6946	1.235	5	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Br)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)3	121.3875	1.674	2	121.3875	2.801	2	120.6946	1.235	5	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)3	121.0143	0.443	4	120.5410	1.187	24	120.5410	1.187	24	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)3	119.9155	0.204	2	120.5410	1.187	24	120.5410	1.187	24	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.7007	0.108	4	120.5410	1.187	24	120.5410	1.187	24	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	121.1478	2.081	5	120.5410	1.187	24	120.5410	1.187	24	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)3	121.7370	0.000	1	120.5410	1.187	24	120.5410	1.187	24	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)3	120.7220	0.000	1	120.5410	1.187	24	120.5410	1.187	24	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)3	120.3177	0.726	3	120.5410	1.187	24	120.5410	1.187	24	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	120.2640	0.120	3	120.5410	1.187	24	120.5410	1.187	24	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	120.3490	0.000	1	120.5410	1.187	24	120.5410	1.187	24	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.7620	0.129	2	119.7620	0.017	2	120.6497	1.259	10	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]F)2(NH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)2(NH3){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(H)3	120.3415	1.237	2	120.8716	1.335	8	120.6497	1.259	10	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]F)2(NH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)2(NH3){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	121.0483	1.189	6	120.8716	1.335	8	120.6497	1.259	10	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:D-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NDHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(D)(H)2	C[6a](C[6a]C[6a]H)2(NDHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(D)(H)2	119.0625	1.046	2	119.0625	1.094	2	119.0625	1.094	2	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	119.1330	0.000	1	119.1330	0.000	1	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	119.2640	0.000	1	119.2485	0.335	4	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	119.2433	0.708	3	119.2485	0.335	4	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	116.9520	0.000	1	116.9520	0.000	1	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	118.9740	0.000	1	118.9740	0.000	1	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.2020	0.000	1	119.2020	0.000	1	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	118.6145	0.299	6	118.2973	0.283	11	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<4>}	N(C[6a]C[6a]2)(H)3	118.0247	0.546	3	118.2973	0.283	11	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	117.3250	0.000	1	118.2973	0.283	11	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|N<4>,2|C<3>}	N(C[6a]C[6a]2)(H)3	118.1840	0.000	1	118.2973	0.283	11	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	117.4620	0.404	3	118.0803	0.607	80	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	118.3830	0.414	2	118.0803	0.607	80	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	117.8365	0.320	2	118.0803	0.607	80	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)3	118.3760	0.000	1	118.0803	0.607	80	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.5054	0.447	7	118.0803	0.607	80	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	117.7913	0.654	13	118.0803	0.607	80	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|I<1>}	N(C[6a]C[6a]2)(H)3	119.0270	0.000	1	118.0803	0.607	80	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(H)3	117.9151	0.603	8	118.0803	0.607	80	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)3	118.8003	0.362	4	118.0803	0.607	80	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(H)3	118.0981	0.720	14	118.0803	0.607	80	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)3	118.6160	0.000	1	118.0803	0.607	80	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	117.6985	0.616	20	118.0803	0.607	80	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	117.9735	0.543	4	118.0803	0.607	80	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	117.1960	0.000	1	117.0130	0.067	2	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|N<3>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	116.8300	0.000	1	117.0130	0.067	2	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	117.7464	0.513	12	117.7261	0.246	13	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	117.4820	0.000	1	117.7261	0.246	13	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NH3){1|Ru<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	116.8080	0.000	1	116.8080	0.000	1	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.0007	0.288	3	119.2279	0.251	9	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(H)3	119.0960	0.000	1	119.2279	0.251	9	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)3	120.0020	0.000	1	119.2279	0.251	9	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<4>}	N(C[6a]C[6a]2)(H)3	119.1277	0.680	3	119.2279	0.251	9	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	119.5680	0.000	1	119.2279	0.251	9	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.9172	0.246	5	119.5986	0.871	12	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)3	119.6150	0.208	2	119.5986	0.871	12	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	119.2734	1.436	5	119.5986	0.871	12	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)3	119.9510	0.730	4	119.9510	0.533	4	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(H)3	121.2000	0.658	2	121.2000	0.432	2	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)3	117.8810	0.031	2	117.8810	0.001	2	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(H)3	120.3260	1.042	2	120.1550	0.631	3	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<4>}	N(C[6a]C[6a]2)(H)3	119.8130	0.000	1	120.1550	0.631	3	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)3	118.6990	0.000	1	118.7907	0.569	81	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)3	118.9316	0.814	30	118.7907	0.569	81	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)3	118.7080	0.720	50	118.7907	0.569	81	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)3	118.9790	0.000	1	118.9790	0.000	1	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)3	118.2880	0.000	1	118.7960	0.516	2	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)3	119.3040	0.000	1	118.7960	0.516	2	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,1|S<4>}	N(C[6a]C[6a]2)(H)3	120.7300	0.000	1	121.0040	0.565	5	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	120.3675	0.384	2	121.0040	0.565	5	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(H)3	121.7775	0.172	2	121.0040	0.565	5	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	120.7260	0.000	1	120.7260	0.000	1	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	120.2914	0.650	22	120.4033	0.494	35	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)3	120.5651	0.800	12	120.4033	0.494	35	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	120.9250	0.000	1	120.4033	0.494	35	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	120.7107	0.391	3	120.7107	0.153	3	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	120.0325	0.798	2	120.0325	0.637	2	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|S<4>}	N(C[6a]C[6a]2)(H)3	118.5930	0.310	2	118.5930	0.096	2	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)3	118.6960	0.650	3	118.5943	0.227	6	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)3	118.4927	0.339	3	118.5943	0.227	6	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)3	118.9990	0.000	1	119.7033	1.840	3	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(H)3	118.8440	0.000	1	119.7033	1.840	3	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(H)3	121.2670	0.000	1	119.7033	1.840	3	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,3|O<2>}	N(C[6a]C[6a]2)(H)3	119.1170	0.000	1	119.1170	0.000	1	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<4>,3|C<3>}	N(C[6a]C[6a]2)(H)3	121.1090	0.000	1	121.1090	0.000	1	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.4773	1.161	3	119.4773	1.347	3	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.5490	0.330	5	119.1748	0.558	109	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	118.9753	0.429	3	119.1748	0.558	109	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.0650	0.382	2	119.1748	0.558	109	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.2027	0.571	25	119.1748	0.558	109	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	118.8290	0.000	1	119.1748	0.558	109	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	119.1619	1.225	18	119.1748	0.558	109	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.0480	0.639	6	119.1748	0.558	109	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)3	121.1060	0.000	1	119.1748	0.558	109	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	119.6491	0.618	9	119.1748	0.558	109	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.2281	0.564	28	119.1748	0.558	109	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	117.7830	0.000	1	119.1748	0.558	109	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.0034	0.460	10	119.1748	0.558	109	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.0860	0.000	1	119.0400	0.315	6	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.2763	0.351	4	119.0400	0.315	6	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	118.0490	0.000	1	119.0400	0.315	6	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.1484	0.493	5	118.1484	0.243	5	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.0783	1.559	3	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.4530	0.000	1	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.8762	0.501	5	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.7373	0.333	3	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.1870	0.451	2	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.1937	0.863	26	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	119.7630	0.000	1	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.9408	0.395	5	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.2990	0.000	1	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)3	119.2438	0.635	5	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.2531	0.543	9	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	118.0610	0.000	1	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.4193	0.797	14	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	119.8600	0.000	1	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.7916	1.074	8	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	119.2207	0.596	3	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	120.0005	0.336	2	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|As<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	118.9320	0.668	6	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.1986	1.325	16	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.3641	0.691	22	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	118.9495	0.718	14	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.4956	0.751	156	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.4080	0.618	12	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)3	119.1742	0.638	31	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)3	119.3648	0.673	20	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)3	119.3614	0.842	29	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)3	119.3772	0.957	91	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	119.5896	0.693	136	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(H)3	119.1380	1.418	2	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<1>}	N(C[6a]C[6a]2)(H)3	119.7590	1.843	2	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)3	119.1788	0.588	6	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(H)3	119.2295	1.493	2	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)3	119.1350	0.864	112	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.1362	0.594	110	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.3667	0.772	49	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	119.3411	0.726	147	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(H)3	118.5890	0.000	1	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.2040	1.187	4	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	120.4820	0.000	1	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	118.9560	0.680	8	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.0067	0.569	28	119.3306	0.610	1095	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.6660	0.000	1	118.6660	0.000	1	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	117.6850	0.000	1	118.4306	0.609	14	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.5817	0.981	8	118.4306	0.609	14	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	118.4013	0.227	3	118.4306	0.609	14	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.2430	0.525	2	118.4306	0.609	14	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.0380	0.232	2	118.0380	0.054	2	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)3	120.1736	0.758	5	118.9207	0.677	30	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.6124	0.460	9	118.9207	0.677	30	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.5930	0.000	1	118.9207	0.677	30	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.5871	0.601	14	118.9207	0.677	30	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NH3)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.4270	0.000	1	118.9207	0.677	30	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Br<1>,1|N<2>}	N(C[6a]C[6a]2)(H)3	121.9310	0.000	1	121.9310	0.000	1	119.2149	0.785	1556	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	121.1075	0.151	2	121.1075	0.023	2	121.1075	0.023	2	119.2421	0.858	1621	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)2	115.1420	0.000	1	115.1420	0.000	1	120.1660	50.481	2	119.3073	6.877	10	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)2	125.1900	0.000	1	125.1900	0.000	1	120.1660	50.481	2	119.3073	6.877	10	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)2(H)2	119.2200	0.294	2	119.0926	1.367	8	119.0926	1.367	8	119.3073	6.877	10	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)2	119.0502	1.374	6	119.0926	1.367	8	119.0926	1.367	8	119.3073	6.877	10	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(NC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3(H)	118.3707	0.855	3	118.3707	0.731	3	118.3707	0.731	3	118.3707	0.731	3	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	117.8830	0.519	2	117.8830	0.269	2	118.3997	0.936	3	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)(H)2	119.4330	0.000	1	119.4330	0.000	1	118.3997	0.936	3	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)(H)2	122.1730	0.059	2	122.1730	0.004	2	122.1730	0.004	2	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NBHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BC[6a]3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NBHH){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(BC[6a]3)(H)2	117.3315	0.904	2	117.3315	0.818	2	119.0694	2.604	10	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NBHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(NBHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BC[6a]3)(H)2	119.7910	3.227	2	119.6482	2.695	6	119.0694	2.604	10	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NBHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(NBHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(BC[6a]3)(H)2	119.8355	1.602	2	119.6482	2.695	6	119.0694	2.604	10	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NBHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(NBHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(BC[6a]3)(H)2	119.3180	0.410	2	119.6482	2.695	6	119.0694	2.604	10	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NBHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BCl3)(H)2	C[6a](C[6a]C[6a]H)2(NBHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(BCl3)(H)2	119.0710	1.042	2	119.0710	1.086	2	119.0694	2.604	10	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(CCCH)(H)2	116.8660	0.000	1	116.8660	0.000	1	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(CCHH)(H)2	118.1420	0.000	1	118.1420	0.000	1	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	120.9230	0.000	1	120.9230	0.000	1	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	118.7805	0.392	2	118.7805	0.154	2	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC3)(H)2	119.0485	0.108	4	119.0485	0.012	4	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)2	119.1975	0.791	2	119.1975	0.626	2	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]CH)(H)2	119.0135	0.933	2	119.0135	0.870	2	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	121.1115	2.039	2	121.1115	4.156	2	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	119.7490	0.298	2	119.2167	1.085	42	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	120.6480	0.000	1	119.2167	1.085	42	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	119.0650	0.670	4	119.2167	1.085	42	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	119.1958	0.476	4	119.2167	1.085	42	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	119.1585	1.148	31	119.2167	1.085	42	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	119.1955	0.708	2	119.1955	0.501	2	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(H)2	119.1877	0.305	4	119.2682	0.072	6	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)2	119.4290	0.064	2	119.2682	0.072	6	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NCHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	118.1860	0.000	1	118.1860	0.000	1	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(H)2	118.9030	0.707	2	118.9030	0.500	2	119.1974	1.049	68	119.2249	1.406	83	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	122.7460	0.000	1	122.7460	0.000	1	122.7460	0.000	1	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	116.3880	0.000	1	119.8040	9.032	3	119.2177	2.901	74	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	120.9830	0.000	1	119.8040	9.032	3	119.2177	2.901	74	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	122.0410	0.000	1	119.8040	9.032	3	119.2177	2.901	74	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	117.2823	0.564	3	117.2823	0.318	3	119.2177	2.901	74	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	118.2870	0.000	1	118.2870	0.000	1	119.2177	2.901	74	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	113.5590	0.000	1	113.5590	0.000	1	119.2177	2.901	74	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2(H)	117.7160	0.271	4	117.7160	0.074	4	119.2177	2.901	74	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	119.1520	0.177	2	119.4861	2.200	62	119.2177	2.901	74	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	119.1135	0.373	2	119.4861	2.200	62	119.2177	2.901	74	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	119.6575	1.349	46	119.4861	2.200	62	119.2177	2.901	74	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	119.5150	0.000	1	119.4861	2.200	62	119.2177	2.901	74	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	116.2602	0.398	4	119.4861	2.200	62	119.2177	2.901	74	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	120.5585	0.363	2	119.4861	2.200	62	119.2177	2.901	74	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	120.3384	0.730	5	119.4861	2.200	62	119.2177	2.901	74	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCCH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2(H)	118.9640	0.966	2	118.9640	0.933	2	118.9640	0.933	2	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NBCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NBCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	119.7982	2.496	4	119.7982	6.230	4	119.7982	6.230	4	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2(H)	119.0820	1.325	2	119.0820	1.756	2	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	121.4605	0.067	2	121.4605	0.005	2	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2(H)	116.3770	0.263	2	116.3770	0.069	2	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<4>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2(H)	118.1560	0.841	2	118.1560	0.708	2	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2(H)	118.0760	0.000	1	118.0760	0.000	1	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	115.3620	0.000	2	115.3620	0.000	2	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2(H)	119.8847	0.490	3	119.8847	0.240	3	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CH3)2(H)	120.2200	0.000	1	120.2200	0.000	1	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)2(H)	117.8790	0.000	1	117.8790	0.000	1	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<2>}	N(C[6a]C[6a]2)(CH3)2(H)	120.4170	0.523	4	120.4170	0.273	4	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	119.2470	1.929	2	119.2470	3.721	2	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2(H)	119.5720	1.075	2	119.3041	5.350	16	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(CCHH)2(H)	119.1227	1.074	6	119.3041	5.350	16	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2(H)	119.1812	1.443	6	119.3041	5.350	16	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2(H)	119.9490	7.852	2	119.3041	5.350	16	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	119.0675	2.708	2	119.0675	7.331	2	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2(H)	117.9400	0.000	1	119.1381	3.633	47	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2(H)	118.8680	2.171	2	119.1381	3.633	47	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2(H)	119.4135	3.371	2	119.1381	3.633	47	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2(H)	119.3265	1.493	10	119.1381	3.633	47	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(CH3)2(H)	118.7740	1.232	4	119.1381	3.633	47	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2(H)	118.8598	3.233	12	119.1381	3.633	47	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2(H)	119.3943	0.678	16	119.1381	3.633	47	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2(H)	121.9110	0.000	1	121.9110	0.000	1	119.1508	3.897	88	119.2145	3.481	169	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2(CCC)	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2(CCC)	119.3990	2.567	2	119.3990	6.588	2	119.3990	6.588	2	119.3990	6.588	2	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NC3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)3	115.6680	1.833	2	115.6680	3.359	2	119.7294	3.121	133	119.7294	3.121	133	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Hg<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)3	119.7750	2.420	2	120.6529	2.137	11	119.7294	3.121	133	119.7294	3.121	133	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)2(NC3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)3	120.8480	1.305	9	120.6529	2.137	11	119.7294	3.121	133	119.7294	3.121	133	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)2	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)2	119.6605	1.771	2	119.6605	3.138	2	119.7294	3.121	133	119.7294	3.121	133	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CClHH)(CH3)2	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CClHH)(CH3)2	119.9710	1.827	2	119.9710	3.339	2	119.7294	3.121	133	119.7294	3.121	133	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)3	119.6890	2.033	4	119.7088	2.941	116	119.7294	3.121	133	119.7294	3.121	133	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)3	120.1380	1.143	4	119.7088	2.941	116	119.7294	3.121	133	119.7294	3.121	133	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CH3)3	119.9983	1.472	53	119.7088	2.941	116	119.7294	3.121	133	119.7294	3.121	133	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(CH3)3	119.7088	1.541	6	119.7088	2.941	116	119.7294	3.121	133	119.7294	3.121	133	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)3	119.6951	1.877	28	119.7088	2.941	116	119.7294	3.121	133	119.7294	3.121	133	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)3	119.5233	1.929	12	119.7088	2.941	116	119.7294	3.121	133	119.7294	3.121	133	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)2(NC3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)3	118.1127	2.022	9	119.7088	2.941	116	119.7294	3.121	133	119.7294	3.121	133	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:1:	4:3:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NC[3x6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[3x6]C[3,5,6,6]C[3,3x6]C[3x6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[3x6]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[3x6]C[3,5,6,6]C[3,3x6]C[3x6])(C[6a]C[6a]2)(H)2	120.6370	1.216	2	120.6370	1.479	2	120.6370	1.479	2	120.6370	1.479	2	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.7846	0.438	7	119.7846	0.192	7	119.7846	0.192	7	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.9450	0.000	1	119.0045	0.007	2	119.0045	0.007	2	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.0640	0.000	1	119.0045	0.007	2	119.0045	0.007	2	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)3	118.6310	0.000	1	118.6310	0.000	1	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	116.5090	0.000	1	116.5090	0.000	1	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	117.8430	0.000	1	117.8430	0.000	1	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)3	117.4990	0.000	1	118.4417	1.310	25	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.6525	0.945	2	118.4417	1.310	25	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	117.8740	0.000	1	118.4417	1.310	25	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.3557	1.240	13	118.4417	1.310	25	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	118.9457	1.093	7	118.4417	1.310	25	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	117.1210	0.000	1	118.4417	1.310	25	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.9680	1.040	3	118.9680	1.082	3	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	117.0180	0.280	2	118.0292	0.502	18	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.4872	0.713	6	118.0292	0.502	18	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	118.0235	0.581	6	118.0292	0.502	18	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	117.4215	0.159	2	118.0292	0.502	18	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.2915	0.125	2	118.0292	0.502	18	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(NH3){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(H)3	119.5310	0.656	2	119.5310	0.431	2	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)2(NH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(NH3){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,1|N<4>,1|O<2>}	N(C[6a]C[6a]2)(H)3	118.0775	1.602	2	118.0775	2.565	2	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)2(NH3)	C[6a](C[6a]C[6a]N)2(OH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(NH3){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(H)3	119.6295	0.493	2	119.6295	0.243	2	118.3624	1.083	55	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	120.3440	0.000	1	120.3440	0.000	1	120.6023	0.065	3	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	120.7315	0.172	2	120.7315	0.030	2	120.6023	0.065	3	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:N[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN)	N(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NH3){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)3	120.5440	0.520	2	120.5440	0.271	2	120.5440	0.271	2	118.6859	1.359	69	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	117.0940	0.000	1	117.0940	0.000	1	116.8820	0.399	3	116.8820	0.399	3	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)2	116.7760	0.854	2	116.7760	0.730	2	116.8820	0.399	3	116.8820	0.399	3	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2(H)	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	120.1968	0.560	5	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:2:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2(H)	119.9115	0.452	4	119.9115	0.205	4	119.9115	0.205	4	120.1968	0.560	5	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.3700	0.000	1	119.3700	0.000	1	121.0640	0.566	28	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	120.7810	1.440	2	120.7810	2.073	2	121.0640	0.566	28	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	120.3860	0.000	1	120.4355	0.005	2	121.0640	0.566	28	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)3	120.4850	0.000	1	120.4355	0.005	2	121.0640	0.566	28	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	121.6470	0.000	1	121.3009	0.259	20	121.0640	0.566	28	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	121.7490	0.116	2	121.3009	0.259	20	121.0640	0.566	28	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	121.2568	0.521	16	121.3009	0.259	20	121.0640	0.566	28	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	120.7640	0.000	1	121.3009	0.259	20	121.0640	0.566	28	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]N)2(COO)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.9850	0.366	2	119.9850	0.134	2	121.0640	0.566	28	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)3	122.0010	0.000	1	122.0010	0.000	1	121.0640	0.566	28	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|N<4>,4|C<3>}	N(C[6a]C[6a]2)(H)3	120.9920	0.000	1	120.9920	0.000	1	119.3247	2.123	6	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(H)3	121.2510	0.000	1	121.2510	0.000	1	119.3247	2.123	6	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]2)2(NH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)2(NH3){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)3	118.4262	0.546	4	118.4262	0.298	4	119.3247	2.123	6	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	122.2210	0.584	3	122.2210	0.341	3	119.5162	1.852	37	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	117.7050	0.000	1	117.7050	0.000	1	119.5162	1.852	37	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	118.0945	0.456	2	119.2165	0.874	32	119.5162	1.852	37	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.8880	0.000	1	119.2165	0.874	32	119.5162	1.852	37	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.1530	0.000	1	119.2165	0.874	32	119.5162	1.852	37	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.3106	0.943	28	119.2165	0.874	32	119.5162	1.852	37	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	122.8040	0.000	1	122.8040	0.000	1	119.5162	1.852	37	120.1104	1.926	71	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NBHH)	C[6a](C[6a]C[6a]N)2(COO)	N(C[6a]C[6a]2)(BC[6a]3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NBHH){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(BC[6a]3)(H)2	121.5345	0.725	2	121.5345	0.525	2	121.5345	0.525	2	120.7633	1.181	6	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Br<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(H)2	121.2905	0.436	2	121.2905	0.190	2	121.2905	0.190	2	120.7633	1.181	6	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCHH)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCHH){2|H<1>,3|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CH3)(H)2	119.4650	0.273	2	119.4650	0.074	2	119.4650	0.074	2	120.7633	1.181	6	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|B<4>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	116.6425	0.186	2	116.6425	0.035	2	116.6425	0.035	2	118.1482	3.935	5	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]N){1|O<2>,1|P<3>,2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CH3)2(H)	120.3055	0.405	2	120.3055	0.164	2	120.3055	0.164	2	118.1482	3.935	5	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:3:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2(H)	116.8450	0.000	1	116.8450	0.000	1	116.8450	0.000	1	118.1482	3.935	5	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(NH3)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(SO3)	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(NH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(SO3){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)3	120.7800	0.000	1	120.7800	0.000	1	120.7800	0.000	1	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|N<4>,2|C<3>}	N(C[6a]C[6a]2)(H)3	120.0490	0.000	1	120.0490	0.000	1	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.5943	0.125	3	119.5943	0.016	3	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.0992	0.454	4	119.0992	0.206	4	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	120.4100	0.000	1	120.4100	0.000	1	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.3350	0.000	1	119.3350	0.000	1	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)3	119.4010	0.517	3	119.3477	0.633	58	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.7487	0.544	6	119.3477	0.633	58	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.5591	0.844	12	119.3477	0.633	58	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	120.0000	0.000	1	119.3477	0.633	58	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.1530	0.000	1	119.3477	0.633	58	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	119.1868	0.605	4	119.3477	0.633	58	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)3	119.0510	0.000	1	119.3477	0.633	58	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)3	119.9910	1.050	8	119.3477	0.633	58	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	119.1000	0.530	9	119.3477	0.633	58	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	118.9320	0.000	1	119.3477	0.633	58	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)3	119.2541	0.836	12	119.3477	0.633	58	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	121.4895	1.077	2	121.4895	1.160	2	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.6080	0.882	2	118.7030	0.416	3	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|N<3>,1|S<4>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	118.8930	0.000	1	118.7030	0.416	3	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)3	117.4243	0.653	3	117.4243	0.426	3	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(NH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<4>}	N(C[6a]C[6a]2)(H)3	118.9177	1.313	8	118.9177	1.723	8	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	118.1360	1.017	12	118.1360	1.035	12	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	118.2813	1.162	9	118.2813	1.351	9	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	120.1170	0.000	1	120.1170	0.000	1	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)3	118.6890	1.939	2	118.5607	1.087	53	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	118.1792	1.063	12	118.5607	1.087	53	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)3	118.6214	0.862	27	118.5607	1.087	53	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(H)3	118.7842	1.298	12	118.5607	1.087	53	118.9046	1.174	159	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCuHH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCuHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	120.2560	0.000	1	120.2560	0.000	1	121.2344	0.484	51	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)3	120.8930	0.000	1	121.2539	0.474	50	121.2344	0.484	51	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	121.2613	0.694	49	121.2539	0.474	50	121.2344	0.484	51	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)3	121.2130	0.751	2	120.7850	0.532	5	120.7850	0.532	5	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)3	120.4997	0.690	3	120.7850	0.532	5	120.7850	0.532	5	119.5069	2.007	216	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-4:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NBHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(BH3)(H)2	C[6a](C[6a]C[6a]C)2(NBHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BH3)(H)2	118.7825	0.763	2	118.7825	0.582	2	118.7825	0.582	2	119.1683	2.513	22	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)2	119.0255	0.762	2	119.0255	0.580	2	118.7943	1.073	18	119.1683	2.513	22	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)2	118.1292	0.884	4	118.1292	0.781	4	118.7943	1.073	18	119.1683	2.513	22	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)2	119.9850	1.092	4	119.9850	1.193	4	118.7943	1.073	18	119.1683	2.513	22	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	118.0240	0.010	2	118.0240	0.000	2	118.7943	1.073	18	119.1683	2.513	22	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	118.5958	0.161	4	118.5958	0.026	4	118.7943	1.073	18	119.1683	2.513	22	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)(H)2	118.6795	1.654	2	118.6795	2.735	2	118.7943	1.073	18	119.1683	2.513	22	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH)	N(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)2	121.6960	0.000	1	121.6960	0.000	1	122.9200	2.996	2	119.1683	2.513	22	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH)	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)2	124.1440	0.000	1	124.1440	0.000	1	122.9200	2.996	2	119.1683	2.513	22	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3)	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2(H)	118.6060	1.261	2	118.6060	1.591	2	118.5247	0.816	3	119.0922	5.852	12	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2(H)	118.3620	0.000	1	118.3620	0.000	1	118.5247	0.816	3	119.0922	5.852	12	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	122.5140	0.000	2	122.5140	0.000	2	119.2813	7.682	9	119.0922	5.852	12	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2(H)	118.2900	0.000	1	118.2900	0.000	1	119.2813	7.682	9	119.0922	5.852	12	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2(H)	117.7750	0.054	2	117.7750	0.003	2	119.2813	7.682	9	119.0922	5.852	12	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)2(NCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CH3)2(H)	118.6660	3.343	4	118.6660	11.173	4	119.2813	7.682	9	119.0922	5.852	12	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:4:4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]2F)	N(C[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NC3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]2F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)3	123.0850	0.000	1	123.0850	0.000	1	122.0550	2.122	2	122.0550	2.122	2	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	3:3:4:	3:4:4:4:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3)	N(C[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NC3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)3	121.0250	0.000	1	121.0250	0.000	1	122.0550	2.122	2	122.0550	2.122	2	119.3036	1.474	2444	119.2833	1.492	2538
643	643	892	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:4:	4:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NH3)	C[6a](C[6]C[6]2Ru)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NH3){1|Ru<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]2Ru)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(H)3	121.3550	0.000	1	121.3550	0.000	1	121.3550	0.000	1	121.3550	0.000	1	119.3036	1.474	2444	119.2833	1.492	2538
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:2:2:	3:4:3:	3:4:	C[6,6,6a]-3:N[6a]-2:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O)	O(C[6a]C[6,6,6a]N[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O){1|H<1>,1|N<2>,5|C<3>}	O(C[6a]C[6,6,6a]N[6a])(CH3)	117.2170	0.106	2	117.2170	0.011	2	117.2170	0.011	2	117.2170	0.011	2	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	O(C[6a]C[6,6,6a]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH){2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	O(C[6a]C[6,6,6a]2)(H)	120.8525	4.236	2	121.0955	13.345	4	121.0955	13.345	4	119.5842	6.022	19	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	O(C[6a]C[6,6,6a]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH){2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6,6,6a]2)(H)	121.3385	4.675	2	121.0955	13.345	4	121.0955	13.345	4	119.5842	6.022	19	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6,6a]-3:C[6,6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]O)	O(C[6a]C[6,6,6a]C[6,6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6,6,6a]C[6,6a])(H)	118.3710	0.320	2	118.3710	0.102	2	118.3710	0.102	2	119.5842	6.022	19	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	O(C[6a]C[6,6,6a]C[6a])(H)	119.0520	0.120	2	119.0520	0.014	2	119.3058	4.597	13	119.5842	6.022	19	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6,6,6a]C[6a])(H)	118.8555	0.315	4	118.8555	0.099	4	119.3058	4.597	13	119.5842	6.022	19	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|Pd<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6,6,6a]C[6a])(H)	117.0830	0.389	2	117.5313	0.679	3	119.3058	4.597	13	119.5842	6.022	19	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|Pt<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6,6,6a]C[6a])(H)	118.4280	0.000	1	117.5313	0.679	3	119.3058	4.597	13	119.5842	6.022	19	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pd)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|Pd<4>,1|C<4>,1|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pd)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6,6,6a]C[6a])(H)	118.6085	1.001	2	118.6085	1.001	2	119.3058	4.597	13	119.5842	6.022	19	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pt)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pt)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6,6,6a]C[6a])(H)	124.2620	0.000	1	124.2620	0.000	1	119.3058	4.597	13	119.5842	6.022	19	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[6a]C[6,6,6a]C[6a])(H)	123.3770	0.000	1	123.3770	0.000	1	119.3058	4.597	13	119.5842	6.022	19	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:3:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6,6,6a]C[6a])(CC[6a]O)	119.1830	0.000	1	119.1830	0.000	1	119.8648	0.814	5	119.8648	0.814	5	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:3:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6,6,6a]C[6a])(CCO)	118.8630	0.000	1	118.8630	0.000	1	119.8648	0.814	5	119.8648	0.814	5	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:3:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[6a]C[6,6,6a]C[6a])(CCO)	119.8490	0.000	1	120.0745	0.102	2	119.8648	0.814	5	119.8648	0.814	5	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:3:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	O(C[6a]C[6,6,6a]C[6a])(CCO)	120.3000	0.000	1	120.0745	0.102	2	119.8648	0.814	5	119.8648	0.814	5	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:3:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6a]C[6,6,6a]C[6a])(CCO)	121.1290	0.000	1	121.1290	0.000	1	119.8648	0.814	5	119.8648	0.814	5	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	O(C[6a]C[6,6,6a]2)(CCHH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC){2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	O(C[6a]C[6,6,6a]2)(CCHH)	120.7220	0.304	2	120.4617	0.586	6	120.3779	0.467	8	118.5061	4.040	30	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	O(C[6a]C[6,6,6a]2)(CCHH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC){2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6,6,6a]2)(CCHH)	120.3315	0.937	4	120.4617	0.586	6	120.3779	0.467	8	118.5061	4.040	30	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	O(C[6a]C[6,6,6a]2)(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC){2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	O(C[6a]C[6,6,6a]2)(CH3)	120.1265	0.409	2	120.1265	0.168	2	120.3779	0.467	8	118.5061	4.040	30	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6,6a]-3:C[6a,6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(OS)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]O)	O(C[6a]C[6,6,6a]C[6a,6a])(SC[6a]OO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(OS){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6,6,6a]C[6a,6a])(SC[6a]OO)	119.9225	0.139	2	119.9225	0.019	2	119.9225	0.019	2	118.5061	4.040	30	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6,6,6a]C[6a])(CH3)	119.6462	0.561	6	119.6462	0.315	6	117.4084	4.759	14	118.5061	4.040	30	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6,6,6a]C[6a])(CH3)	116.3543	0.908	4	116.3543	0.824	4	117.4084	4.759	14	118.5061	4.040	30	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CCHH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6,6,6a]C[6a])(CCHH)	115.6440	0.000	1	115.6440	0.000	1	117.4084	4.759	14	118.5061	4.040	30	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6,6,6a]C[6a])(CC[6a]HH)	113.9690	0.000	1	113.9690	0.000	1	117.4084	4.759	14	118.5061	4.040	30	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CHHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6,6,6a]C[6a])(CHHO)	114.9800	0.000	1	114.9800	0.000	1	117.4084	4.759	14	118.5061	4.040	30	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[6a]C[6,6,6a]C[6a])(CH3)	115.8300	0.000	1	115.8300	0.000	1	117.4084	4.759	14	118.5061	4.040	30	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OS)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OS){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6,6,6a]C[6a])(SC[6a]OO)	118.0995	0.649	6	118.0995	0.421	6	118.0995	0.421	6	118.5061	4.040	30	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH)	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]O)	O(C[6a]C[6,6,6a]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH){2|H<1>,3|C<3>,4|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6,6,6a]2)(H)	120.6805	2.848	4	120.6805	8.109	4	120.6805	8.109	4	121.0276	6.684	5	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]O)(OH)	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]O)(OH){1|C<3>,5|C<4>}	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	O(C[6a]C[6,6,6a]C[6a])(H)	122.4160	0.000	1	122.4160	0.000	1	122.4160	0.000	1	121.0276	6.684	5	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CCHH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|Fe<10>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6,6,6a]C[6a])(CCHH)	118.4370	0.000	1	118.4370	0.000	1	117.0958	1.383	6	117.4007	2.295	10	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CHHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|Fe<10>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6,6,6a]C[6a])(CHHO)	118.7710	0.000	1	118.7710	0.000	1	117.0958	1.383	6	117.4007	2.295	10	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6,6,6a]C[6a])(CH3)	116.3860	0.122	2	116.3860	0.015	2	117.0958	1.383	6	117.4007	2.295	10	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|N<3>,3|H<1>,4|C<3>}	O(C[6a]C[6,6,6a]C[6a])(CH3)	116.2975	0.107	2	116.2975	0.011	2	117.0958	1.383	6	117.4007	2.295	10	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OP)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(PRhOO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OP){2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	O(C[6a]C[6,6,6a]C[6a])(PRhOO)	119.4585	1.449	2	119.4585	2.099	2	119.4585	2.099	2	117.4007	2.295	10	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	O(C[6a]C[6,6,6a]C[6a])(CH3)	116.2575	0.045	2	116.2575	0.002	2	116.2575	0.002	2	117.4007	2.295	10	118.8758	4.931	71	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:2:2:	3:4:3:	3:4:	C[6,6a]-3:N[6a]-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	O(C[6a]C[6,6a]N[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6,6a]N[6a])(CCHH)	117.5648	1.330	4	117.5648	1.770	4	117.5648	1.770	4	117.5648	1.770	4	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6,6a]H)(OH)	C[6,6a](C[6,6,6a]C[6,6,6a]2)(C[6a]C[6a]O)(O[6]C[6,6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]2)(C[6a]C[6a]O)(O[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	120.6480	0.000	1	120.6480	0.000	1	121.0455	0.592	4	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]Br)(OH)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]Br)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(O[6]C[6]){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.1525	1.249	2	121.1525	1.561	2	121.0455	0.592	4	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(O[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.2290	0.000	1	121.2290	0.000	1	121.0455	0.592	4	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]){1|O<1>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.2780	0.000	1	120.2780	0.000	1	120.2780	0.000	1	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(OH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.9060	0.550	2	118.9060	0.303	2	120.1747	6.224	15	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	119.1450	0.467	2	119.1450	0.218	2	120.1747	6.224	15	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	116.4195	0.015	2	116.4195	0.000	2	120.1747	6.224	15	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]Ga[3x6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH){1|Ga<5>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]Ga[3x6]){1|O<2>,2|C<3>,2|H<1>,3|N<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.1770	0.030	2	118.1770	0.001	2	120.1747	6.224	15	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]B[5a,6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH){1|B<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]B[5a,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.7370	0.000	1	120.7370	0.000	1	120.1747	6.224	15	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.0250	0.000	1	122.0250	0.000	1	120.1747	6.224	15	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	122.2350	0.000	1	122.2350	0.000	1	120.1747	6.224	15	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	123.5570	0.000	1	123.5570	0.000	1	120.1747	6.224	15	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	121.8290	0.000	1	122.9240	1.491	3	120.1747	6.224	15	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.7020	0.000	1	122.9240	1.491	3	120.1747	6.224	15	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	124.2410	0.000	1	122.9240	1.491	3	120.1747	6.224	15	120.3541	4.806	20	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC[6a])	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]B[3x6])	O(C[6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC[6a]){1|B<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]B[3x6]){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[6,6a]C[6a])2	119.7578	0.295	4	119.7578	0.087	4	119.7578	0.087	4	119.7578	0.087	4	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.0680	0.426	3	115.7253	0.591	4	115.7253	0.591	4	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.6970	0.000	1	115.7253	0.591	4	115.7253	0.591	4	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]C[6a])(OC)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]O)(O[6]C[6,6a])	O(C[6a]C[6,6a]C[6a])(CHHO)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]C[6a])(OC){6|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]O)(O[6]C[6,6a]){6|C<3>}	O(C[6a]C[6,6a]C[6a])(CHHO)	118.3230	0.024	2	118.3230	0.001	2	118.3230	0.001	2	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.8990	0.000	1	115.8990	0.000	1	114.8558	0.952	4	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2860	0.000	1	115.2860	0.000	1	114.8558	0.952	4	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,1|S<4>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.6180	0.000	1	114.6180	0.000	1	114.8558	0.952	4	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6,6a])	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6,6a]){2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	113.6200	0.000	1	113.6200	0.000	1	114.8558	0.952	4	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:P-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6])	O(C[6a]C[6,6a]C[6a])(PC[6a]2O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OP){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]){1|O<1>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(PC[6a]2O)	117.3290	0.000	1	117.3290	0.000	1	117.3290	0.000	1	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OS)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6])	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OS){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	115.8460	0.000	1	115.8460	0.000	1	115.8460	0.000	1	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC)	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC){1|C<3>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.4960	0.000	1	114.1700	0.152	4	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC)	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.0613	0.397	3	114.1700	0.152	4	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.9810	0.000	1	114.9810	0.000	1	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6])	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	115.6220	0.000	1	115.6220	0.000	1	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.5800	0.000	1	115.5800	0.000	1	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	115.6300	0.000	1	115.4970	0.035	2	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	115.3640	0.000	1	115.4970	0.035	2	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]S[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]S[6]){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2320	0.000	1	115.2320	0.000	1	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]B[3x6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|B<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]B[3x6]){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.0705	5.305	2	119.0705	28.148	2	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[3x6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[3x6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.6710	0.000	1	115.6710	0.000	1	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	116.1285	0.071	2	116.1285	0.005	2	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.0137	0.419	3	115.0038	0.096	6	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.1530	0.000	1	115.0038	0.096	6	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.9145	0.303	2	115.0038	0.096	6	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	116.3680	0.000	1	116.3680	0.000	1	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2590	0.000	1	115.5277	0.199	3	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2820	0.000	1	115.5277	0.199	3	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.0420	0.000	1	115.5277	0.199	3	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.0375	0.028	2	115.1860	0.067	3	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.4830	0.000	1	115.1860	0.067	3	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|Br<1>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.5770	0.000	1	115.6165	0.954	4	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.9810	0.000	1	115.6165	0.954	4	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.2720	0.000	1	115.6165	0.954	4	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.6360	0.000	1	115.6165	0.954	4	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,2|C<3>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	114.4880	0.000	1	114.4880	0.000	1	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.0115	0.228	2	115.4988	0.218	13	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.5660	0.000	1	115.4988	0.218	13	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.6080	0.189	3	115.4988	0.218	13	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){2|C<3>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.8940	0.789	2	115.4988	0.218	13	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.0770	0.064	2	115.4988	0.218	13	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.2510	0.000	1	115.4988	0.218	13	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.4395	0.336	2	115.4988	0.218	13	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	114.5380	0.013	2	114.5380	0.000	2	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.4890	0.000	1	119.4890	0.000	1	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.6320	0.000	1	119.6320	0.000	1	115.6065	2.179	50	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(S[6]C[6])	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(S[6]C[6]){3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	114.8380	0.000	1	114.8380	0.000	1	115.7125	1.530	2	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]O)(S[6]C[6,6a])	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]O)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.5870	0.000	1	116.5870	0.000	1	115.7125	1.530	2	115.6859	2.105	64	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[5,6a]C[6,6a])(H)	123.0590	0.000	1	123.0590	0.000	1	123.0590	0.000	1	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6,6a]O)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[5,6a]C[6,6a])(H)	122.4815	0.320	2	122.4815	0.103	2	122.8937	0.259	14	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6a]C[5,6a]C[6,6a])(H)	123.1135	0.457	4	123.0516	0.176	5	122.8937	0.259	14	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[5,6a]C[6,6a])(H)	122.8040	0.000	1	123.0516	0.176	5	122.8937	0.259	14	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6]O)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6a]C[5,6a]C[6,6a])(H)	122.1780	0.000	1	122.1780	0.000	1	122.8937	0.259	14	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(C[6]O[6]O)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(C[6]O[6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6,6a])(H)	122.8810	0.000	1	122.8810	0.000	1	122.8937	0.259	14	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6,6a])(H)	123.7890	0.000	1	123.0464	0.368	5	122.8937	0.259	14	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[5,6a]C[6,6a])(H)	122.8607	0.510	4	123.0464	0.368	5	122.8937	0.259	14	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6]O)	O(C[6a]C[5a,6a]C[6,6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[5a,6a]C[6,6a])(H)	123.4540	0.000	1	123.4540	0.000	1	123.4540	0.000	1	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]O)(C[6]C[6]O)	O(C[6a]C[6,6,6a]C[6,6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6,6,6a]C[6,6a])(H)	122.8290	0.257	2	122.8290	0.066	2	122.8290	0.066	2	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6,6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6,6a]O)(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6,6a]2)(H)	122.0790	0.000	1	122.0790	0.000	1	122.0790	0.000	1	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH){1|C<4>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	O(C[6a]C[6,6a]2)(H)	118.2420	0.000	1	118.4020	0.051	2	118.4020	0.051	2	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[6,6a]2)(H)	118.5620	0.000	1	118.4020	0.051	2	118.4020	0.051	2	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH){1|C<4>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|O<1>,1|O<2>,4|C<3>}	O(C[6a]C[6,6a]2)(H)	120.7340	0.000	1	120.7340	0.000	1	120.7037	4.405	11	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]N[5,6]O)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]N[5,6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]2)(H)	121.4170	0.000	1	121.4170	0.000	1	120.7037	4.405	11	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]2)(H)	122.1245	0.073	2	121.9528	0.064	6	120.7037	4.405	11	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6,6a]2)(H)	121.8215	0.465	2	121.9528	0.064	6	120.7037	4.405	11	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]2)(H)	121.9125	0.026	2	121.9528	0.064	6	120.7037	4.405	11	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|H<1>,2|C<3>,4|C<4>}	O(C[6a]C[6,6a]2)(H)	120.6640	0.000	1	120.6640	0.000	1	120.7037	4.405	11	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]2)(H)	116.6045	0.503	2	116.6045	0.253	2	120.7037	4.405	11	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a,6a]-3:O-2:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(OH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,3|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	120.9580	0.000	1	120.9580	0.000	1	120.9580	0.000	1	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.1760	0.000	1	120.5160	0.263	8	120.5160	0.263	8	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	120.3070	0.247	3	120.5160	0.263	8	120.5160	0.263	8	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	120.8017	0.239	3	120.5160	0.263	8	120.5160	0.263	8	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.6260	0.000	1	120.5160	0.263	8	120.5160	0.263	8	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(OH)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|O<1>,2|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.4990	0.331	2	122.4990	0.110	2	122.8153	0.355	3	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	123.4480	0.000	1	123.4480	0.000	1	122.8153	0.355	3	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	122.2725	0.548	2	121.7000	1.039	4	121.8556	0.900	5	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.1275	1.227	2	121.7000	1.039	4	121.8556	0.900	5	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,3|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	122.4780	0.000	1	122.4780	0.000	1	121.8556	0.900	5	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]O){1|H<1>,1|N<3>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.9280	0.000	1	122.9280	0.000	1	122.9280	0.000	1	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	125.1555	0.114	2	125.1555	0.013	2	125.1555	0.013	2	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.6783	0.658	3	121.2080	0.523	6	121.1102	2.835	9	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	120.7377	0.460	3	121.2080	0.523	6	121.1102	2.835	9	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.6890	1.001	2	122.6890	1.003	2	121.1102	2.835	9	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.3660	0.000	1	117.3660	0.000	1	121.1102	2.835	9	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OH){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	125.3000	0.453	2	125.3000	0.205	2	121.7875	14.911	6	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	115.5780	0.000	1	115.5780	0.000	1	121.7875	14.911	6	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.8625	0.117	2	122.8625	0.014	2	121.7875	14.911	6	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	118.8220	0.000	1	118.8220	0.000	1	121.7875	14.911	6	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(OH)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.8000	0.000	1	121.8000	0.000	1	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6,6a]H)(OH)	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6,6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.8226	1.216	5	122.8226	1.478	5	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OH){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	124.2720	0.000	1	124.2720	0.000	1	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.4482	0.195	5	119.5164	0.058	7	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.6870	0.342	2	119.5164	0.058	7	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Br<1>,1|C<2>,1|O<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	123.1950	0.000	1	122.8685	0.213	2	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Br<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.5420	0.000	1	122.8685	0.213	2	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	121.2437	0.628	6	121.2437	0.394	6	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|H<1>,3|C<4>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.7990	0.000	1	121.7990	0.000	1	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.0320	0.000	1	121.0320	0.000	1	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	121.3970	0.000	1	121.8025	0.329	2	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.2080	0.000	1	121.8025	0.329	2	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.8510	0.000	1	122.0447	0.455	7	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.7175	0.138	2	122.0447	0.455	7	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<7>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.9840	0.000	1	122.0447	0.455	7	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.2400	0.447	2	122.0447	0.455	7	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.5630	0.000	1	122.0447	0.455	7	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.2660	0.000	1	122.2660	0.000	1	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	121.6250	0.752	2	121.6250	0.566	2	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.8130	0.000	1	121.8130	0.000	1	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.1660	0.000	1	121.1660	0.000	1	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	123.1760	0.419	2	123.1760	0.175	2	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.4550	0.590	2	122.4550	0.348	2	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.9040	0.000	1	122.5330	0.275	2	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.1620	0.000	1	122.5330	0.275	2	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.6762	0.253	4	121.9450	0.655	25	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.1190	0.000	1	121.9450	0.655	25	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.6350	1.526	2	121.9450	0.655	25	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	123.4515	1.213	2	121.9450	0.655	25	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.6735	0.506	2	121.9450	0.655	25	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.4350	0.000	3	121.9450	0.655	25	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.0080	0.136	2	121.9450	0.655	25	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.7560	0.000	1	121.9450	0.655	25	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.1605	0.484	2	121.9450	0.655	25	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.8745	0.472	2	121.9450	0.655	25	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.7832	0.334	4	121.9450	0.655	25	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|Br<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	123.8010	0.000	1	122.8933	0.803	70	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.1330	0.071	3	122.8933	0.803	70	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.0970	0.000	1	122.8933	0.803	70	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.4581	0.244	10	122.8933	0.803	70	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	124.9200	0.000	1	122.8933	0.803	70	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.7177	1.008	4	122.8933	0.803	70	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	123.5440	0.781	22	122.8933	0.803	70	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	123.8690	0.000	1	122.8933	0.803	70	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.8246	0.782	16	122.8933	0.803	70	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.5180	0.000	1	122.8933	0.803	70	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.0510	0.389	3	122.8933	0.803	70	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.4830	0.000	1	122.8933	0.803	70	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.1123	0.619	6	122.8933	0.803	70	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	121.0740	0.000	1	120.5310	0.590	2	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.9880	0.000	1	120.5310	0.590	2	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4x6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4x6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.1750	0.000	1	120.1750	0.000	1	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.5752	0.422	4	120.7365	0.725	10	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.2130	0.000	1	120.7365	0.725	10	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	120.4870	1.163	4	120.7365	0.725	10	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.9030	0.000	1	120.7365	0.725	10	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]O){1|B<4>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	114.9850	0.000	1	114.9850	0.000	1	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|N<3>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	123.9300	0.680	2	124.0178	0.202	4	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	124.1055	0.336	2	124.0178	0.202	4	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	121.8210	0.000	1	121.8210	0.000	1	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.5675	0.050	2	122.7842	1.285	5	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	123.5953	0.319	3	122.7842	1.285	5	122.2216	1.849	163	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	120.4276	1.122	5	120.4276	1.259	5	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.9340	0.589	3	116.9340	0.347	3	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	119.7180	0.000	1	119.7180	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Cl)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Cl)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.3810	0.000	1	122.3810	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.9982	0.191	4	121.9982	0.037	4	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.8460	0.000	1	121.7850	0.869	3	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.2545	0.221	2	121.7850	0.869	3	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OH)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H){1|Mn<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	114.8185	0.032	2	114.8185	0.001	2	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.1440	0.000	1	116.1440	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OH)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	114.9690	0.000	1	114.9690	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.8730	0.422	4	116.8730	0.178	4	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.3310	0.000	1	120.3310	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|O<1>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.1440	0.000	1	121.1440	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.4290	0.000	1	120.4290	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.5550	0.000	1	120.5550	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	121.5968	0.481	4	121.5968	0.231	4	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.3120	0.000	1	120.8972	0.609	6	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	120.3700	0.225	3	120.8972	0.609	6	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	120.9805	0.303	2	120.8972	0.609	6	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	122.1660	0.000	1	120.9984	0.878	5	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.3640	0.204	2	120.9984	0.878	5	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	120.0490	0.190	2	120.9984	0.878	5	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.2270	0.000	1	117.0856	0.231	7	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	117.2287	0.325	6	117.0856	0.231	7	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	120.0270	0.000	1	119.2457	0.506	3	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	118.8550	0.310	2	119.2457	0.506	3	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH){1|C<4>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.7740	0.000	1	121.7740	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	119.5860	0.000	1	119.5860	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	123.4270	0.000	1	123.4270	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.4680	0.000	1	122.4680	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.5650	0.000	1	121.9237	0.546	11	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.6052	0.771	5	121.9237	0.546	11	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.7930	0.000	1	121.9237	0.546	11	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.4442	0.670	4	121.9237	0.546	11	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.5410	0.000	1	121.5410	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.0890	0.000	1	121.0890	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.1240	0.269	3	122.1240	0.073	3	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.3057	0.336	3	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.2940	0.000	1	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.6980	0.000	1	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.1540	0.000	1	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.9870	0.412	3	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.5650	0.000	1	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.1580	0.000	1	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.7530	0.000	1	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	123.2180	0.000	1	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.7940	0.000	1	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.5890	0.000	1	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.2260	0.018	2	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.0910	0.000	1	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.5945	0.706	2	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.9420	0.000	1	122.0845	0.491	21	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.9328	0.482	6	121.8866	0.869	25	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.6813	1.033	7	121.8866	0.869	25	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	123.3705	1.162	2	121.8866	0.869	25	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	123.4060	0.000	1	121.8866	0.869	25	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.5168	0.679	9	121.8866	0.869	25	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.3150	0.577	3	120.2379	0.553	14	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.1288	0.557	6	120.2379	0.553	14	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.7368	0.168	4	120.2379	0.553	14	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.6650	0.000	1	120.2379	0.553	14	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.2430	0.057	2	121.2430	0.003	2	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.1695	0.149	2	121.1695	0.022	2	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	122.7570	0.000	1	122.7570	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	123.0445	0.016	2	123.0623	0.001	3	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	123.0980	0.000	1	123.0623	0.001	3	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.3230	0.000	1	120.3230	0.000	1	120.8529	3.770	143	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)(OH)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.8860	0.000	1	116.8860	0.000	1	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.9690	1.452	2	117.1410	2.447	5	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	115.7375	1.022	2	117.1410	2.447	5	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	118.2920	0.000	1	117.1410	2.447	5	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.7010	0.000	1	116.7010	0.000	1	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C){2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.6249	0.330	8	119.6249	0.109	8	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	115.5080	0.000	1	116.0466	0.626	59	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.0031	0.718	20	116.0466	0.626	59	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|Cl<1>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	115.4947	0.749	3	116.0466	0.626	59	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.4090	0.000	1	116.0466	0.626	59	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.9880	0.000	1	116.0466	0.626	59	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.0228	0.634	30	116.0466	0.626	59	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	115.8720	0.323	3	116.0466	0.626	59	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O){2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.2590	0.000	1	121.7700	4.566	2	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O){2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	123.2810	0.000	1	121.7700	4.566	2	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	114.2400	0.000	1	114.2400	0.000	1	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	114.5520	0.000	1	114.5520	0.000	1	116.6074	2.695	78	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(OH)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(OH){1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(H)	117.5010	0.000	1	117.5010	0.000	1	117.5010	0.000	1	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(OH)	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	119.2620	0.000	1	119.2620	0.000	1	119.9335	1.486	4	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(OH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	120.1573	1.389	3	120.1573	1.928	3	119.9335	1.486	4	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(H)	120.4630	0.000	1	120.4630	0.000	1	120.6312	4.207	26	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,5,6]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,5,6]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6,6a])(H)	121.5780	0.000	1	121.5780	0.000	1	120.6312	4.207	26	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6,6]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6,6]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6,6a])(H)	122.4822	0.195	4	122.4822	0.038	4	120.6312	4.207	26	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O){1|H<1>,2|C<4>,4|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	119.8910	0.000	1	120.3410	0.405	2	120.6312	4.207	26	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(H)	120.7910	0.000	1	120.3410	0.405	2	120.6312	4.207	26	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	121.8980	0.000	1	121.6310	0.143	2	120.6312	4.207	26	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	121.3640	0.000	1	121.6310	0.143	2	120.6312	4.207	26	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]N[6]H)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]N[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	125.7560	0.000	1	125.7560	0.000	1	120.6312	4.207	26	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(H)	118.4372	1.171	6	118.9972	1.748	12	120.6312	4.207	26	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6,6a])(H)	119.0558	0.515	5	118.9972	1.748	12	120.6312	4.207	26	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	122.0640	0.000	1	118.9972	1.748	12	120.6312	4.207	26	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(H)	121.0390	0.000	1	121.0390	0.000	1	120.6312	4.207	26	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(OH){1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){1|N<2>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	122.8675	0.115	2	122.8675	0.013	2	120.6312	4.207	26	120.7254	6.594	483	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-2:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	O(C[6a]C[6,6a]C[6a])(HPt)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|Pt<5>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(HPt)	124.4470	0.000	1	124.3275	0.029	2	124.3275	0.029	2	124.3275	0.029	2	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-2:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	O(C[6a]C[6,6a]C[6a])(HPt)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|Pt<5>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(HPt)	124.2080	0.000	1	124.3275	0.029	2	124.3275	0.029	2	124.3275	0.029	2	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CCO)	121.0000	0.000	1	121.0000	0.000	1	120.6072	1.286	5	120.6746	2.715	8	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CCO)	120.0570	0.000	1	120.0570	0.000	1	120.6072	1.286	5	120.6746	2.715	8	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCO)	121.5275	0.398	2	121.5275	0.158	2	120.6072	1.286	5	120.6746	2.715	8	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	118.9240	0.000	1	118.9240	0.000	1	120.6072	1.286	5	120.6746	2.715	8	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CCO)	120.8590	0.000	1	120.8590	0.000	1	122.1180	3.170	2	120.6746	2.715	8	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(CCO)	123.3770	0.000	1	123.3770	0.000	1	122.1180	3.170	2	120.6746	2.715	8	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	118.1250	0.000	1	118.1250	0.000	1	118.1250	0.000	1	120.6746	2.715	8	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]O)	O(C[6a]C[5a,6a]C[6,6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]O){2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6,6a])(CC[6a]HH)	123.0680	0.000	1	123.0680	0.000	1	120.3250	9.331	3	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H)	O(C[6a]C[5a,6a]C[6,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[6a]C[5a,6a]C[6,6a])(CH3)	120.8740	0.000	1	120.8740	0.000	1	120.3250	9.331	3	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H)	O(C[6a]C[5a,6a]C[6,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]C[5a,6a]C[6,6a])(CH3)	117.0330	0.000	1	117.0330	0.000	1	120.3250	9.331	3	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[5,6a]-3:O-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(OC)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	O(C[6a]C[5,6a]C[6,6a])(CH3)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(OC){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6,6a])(CH3)	117.5930	0.000	1	117.5930	0.000	1	117.5930	0.000	1	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	O(C[6a]C[6,6a]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]2)(CH3)	121.9010	0.000	1	121.9010	0.000	1	120.9135	6.380	4	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6,6a]2)(CH3)	117.1400	0.000	1	117.1400	0.000	1	120.9135	6.380	4	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|O<2>,3|C<3>}	O(C[6a]C[6,6a]2)(CH3)	122.1560	0.000	1	122.3065	0.045	2	120.9135	6.380	4	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6,6a]2)(CH3)	122.4570	0.000	1	122.3065	0.045	2	120.9135	6.380	4	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a,6a]-3:O-2:	C[6,6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[5,6a,6a]C[6a])(OC)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[5,6a,6a]C[6a])(OC){1|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,6|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.0500	0.000	1	117.0500	0.000	1	117.0500	0.000	1	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.1830	0.000	1	117.1830	0.000	1	117.1663	0.250	3	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.6580	0.000	1	117.6580	0.000	1	117.1663	0.250	3	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.6580	0.000	1	116.6580	0.000	1	117.1663	0.250	3	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.6460	0.000	1	115.6460	0.000	1	115.6460	0.000	1	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|I<1>,1|N<3>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.1750	0.000	1	116.1750	0.000	1	116.1750	0.000	1	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC)	C[6,6a](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|N<3>,3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.4080	0.000	1	114.4080	0.000	1	114.7344	1.191	5	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC)	C[6,6a](C[5a,6]C[5a,6,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.4390	0.000	1	115.4390	0.000	1	114.7344	1.191	5	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC)	C[6,6a](C[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.4240	0.351	2	115.4240	0.123	2	114.7344	1.191	5	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|N<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	112.9770	0.000	1	112.9770	0.000	1	114.7344	1.191	5	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[5a,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	115.1440	0.000	1	115.1440	0.000	1	115.9223	0.503	4	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[5a,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5a,6]N[5a,6,6a]C[5a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5a,6]N[5a,6,6a]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	116.6320	0.000	1	116.6320	0.000	1	115.9223	0.503	4	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[5a,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]O){1|H<1>,3|C<4>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.9565	0.631	2	115.9565	0.399	2	115.9223	0.503	4	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]C)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.8790	0.564	2	114.8790	0.318	2	118.0223	5.555	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<4>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.9874	1.705	8	117.9874	2.908	8	118.0223	5.555	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,2|C<4>,2|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.4620	0.000	1	120.2110	5.919	3	118.0223	5.555	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.0870	0.000	1	120.2110	5.919	3	118.0223	5.555	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|N<4>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.0840	0.000	1	120.2110	5.919	3	118.0223	5.555	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.7570	0.834	2	122.7570	0.696	2	122.7570	0.696	2	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.9570	0.472	2	114.9570	0.223	2	116.0346	1.441	5	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.0860	0.000	1	117.2700	0.068	2	116.0346	1.441	5	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,6|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.4540	0.000	1	117.2700	0.068	2	116.0346	1.441	5	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.7190	0.000	1	115.7190	0.000	1	116.0346	1.441	5	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OS)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OS){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	118.8930	0.000	1	118.8930	0.000	1	118.8930	0.000	1	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a,6a]C[5a,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	115.8750	0.000	1	115.8750	0.000	1	115.9245	0.005	2	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a,6a]C[5a,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[5a,6]N[5a,6,6a]C[5a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[5a,6]N[5a,6,6a]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	115.9740	0.000	1	115.9740	0.000	1	115.9245	0.005	2	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OS)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(SCOO)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OS){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]O){2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(SCOO)	121.2857	0.524	3	121.2857	0.275	3	121.2857	0.275	3	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]O){1|H<1>,1|N<3>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.9740	0.000	1	116.9740	0.000	1	116.9740	0.000	1	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]O){1|Cr<9>,1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OC){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|Cr<9>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.0150	0.000	1	120.0150	0.000	1	116.6168	4.364	20	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.3700	0.000	1	116.3700	0.000	1	116.6168	4.364	20	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|S<2>,2|H<1>,2|O<2>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.2680	0.000	1	117.2680	0.000	1	116.6168	4.364	20	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.3707	0.470	11	115.3707	0.221	11	116.6168	4.364	20	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.6990	0.000	1	116.5815	0.269	4	116.6168	4.364	20	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|P<4>,3|C<3>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.8910	0.243	2	116.5815	0.269	4	116.6168	4.364	20	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Br<1>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.8450	0.000	1	116.5815	0.269	4	116.6168	4.364	20	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.6400	0.566	2	121.6400	0.320	2	116.6168	4.364	20	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OS)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OS){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	118.7720	1.013	4	118.9630	0.952	5	118.9630	0.952	5	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OS)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OS){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	119.7270	0.000	1	118.9630	0.952	5	118.9630	0.952	5	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OC){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.7665	0.025	2	122.7665	0.001	2	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.8435	0.149	2	116.8435	0.022	2	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.2710	0.000	1	116.2710	0.000	1	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.5760	0.000	1	116.5760	0.000	1	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.5860	0.000	1	117.2263	0.452	6	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.9280	0.206	2	117.2263	0.452	6	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.9855	0.791	2	117.2263	0.452	6	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.9450	0.000	1	117.2263	0.452	6	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	116.4105	0.054	2	116.3218	0.012	4	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	116.2330	0.051	2	116.3218	0.012	4	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	117.2220	0.485	2	117.7192	0.521	31	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	118.6650	0.246	5	117.7192	0.521	31	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	117.0095	0.513	6	117.7192	0.521	31	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	117.7483	0.586	18	117.7192	0.521	31	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	116.4860	0.000	1	117.1680	0.423	3	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	117.7810	0.000	1	117.1680	0.423	3	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	117.2370	0.000	1	117.1680	0.423	3	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.9340	0.000	1	117.7074	0.937	11	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.5150	0.639	3	117.7074	0.937	11	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.0745	1.596	2	117.7074	0.937	11	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.2306	0.389	5	117.7074	0.937	11	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5a])(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.8195	0.774	2	115.8195	0.600	2	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.1770	0.549	8	116.8251	2.102	10	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.4175	0.064	2	116.8251	2.102	10	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.5490	0.000	1	114.5490	0.000	1	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]O){1|B<4>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.4810	0.000	1	114.4810	0.000	1	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.2265	0.763	4	116.0802	0.401	6	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.7875	0.047	2	116.0802	0.401	6	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.8960	0.000	1	121.8960	0.000	1	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.7260	0.721	2	119.7260	0.520	2	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	118.6820	0.000	1	118.6820	0.000	1	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.9170	0.000	1	122.7476	1.921	5	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.7895	0.323	2	122.7476	1.921	5	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.6210	0.577	2	122.7476	1.921	5	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.5980	1.732	8	118.5980	3.000	8	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.3217	0.570	3	122.3217	0.325	3	117.9328	4.155	101	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	120.3655	0.255	2	119.3967	4.407	4	119.2104	3.479	5	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	118.4280	3.066	2	119.3967	4.407	4	119.2104	3.479	5	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	118.4650	0.000	1	118.4650	0.000	1	119.2104	3.479	5	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OC)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	118.0044	2.137	12	118.0044	4.567	12	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.8210	0.000	1	119.8210	0.000	1	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.1240	0.000	1	118.1240	0.000	1	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.4280	0.000	1	120.4280	0.000	1	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2050	0.000	1	115.2050	0.000	1	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2240	0.000	1	116.0480	0.759	3	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.4600	0.707	2	116.0480	0.759	3	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.5250	0.000	1	116.6530	0.033	2	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.7810	0.000	1	116.6530	0.033	2	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C){1|H<1>,2|O<2>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.7700	0.000	1	116.5685	0.081	2	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.3670	0.000	1	116.5685	0.081	2	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.4130	0.000	1	117.9173	0.146	7	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.2260	0.055	2	117.9173	0.146	7	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.0067	0.361	3	117.9173	0.146	7	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.5360	0.000	1	117.9173	0.146	7	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	116.3930	0.000	1	116.3930	0.000	1	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.8280	0.000	1	116.8280	0.000	1	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.6600	0.000	1	115.8960	1.167	2	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C){2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.1320	0.000	1	115.8960	1.167	2	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.5470	0.000	1	116.7950	0.460	3	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.5620	0.000	1	116.7950	0.460	3	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.2760	0.000	1	116.7950	0.460	3	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.5200	0.000	1	114.5200	0.000	1	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.9142	1.859	5	118.9142	3.457	5	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.4402	1.155	5	117.4402	1.335	5	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.5980	0.000	1	120.1135	1.069	4	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.1990	0.000	1	120.1135	1.069	4	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.8285	0.057	2	120.1135	1.069	4	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.7850	0.000	1	123.7850	0.000	1	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]C)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.0670	0.000	1	118.0670	0.000	1	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.8170	0.000	1	120.8170	0.000	1	117.8991	3.837	55	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:Si-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OSi)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(SiC3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OSi){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H){1|Cr<9>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(SiC3)	118.3120	0.529	3	118.3120	0.279	3	118.3120	0.279	3	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]C)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.6990	0.000	1	117.6990	0.000	1	115.3315	4.302	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C){2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	120.4580	0.000	1	120.4580	0.000	1	115.3315	4.302	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|Cu<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu){3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	117.8030	0.000	1	117.8030	0.000	1	115.3315	4.302	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	114.4840	0.487	3	114.4840	0.237	3	115.3315	4.302	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CC[5]HH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CC[5]HH)	113.8760	0.000	1	113.8760	0.000	1	115.3315	4.302	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	113.4310	0.677	2	113.4310	0.459	2	115.3315	4.302	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.8380	0.000	1	114.8373	0.002	3	115.3315	4.302	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.8830	0.000	1	114.8373	0.002	3	115.3315	4.302	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.7910	0.000	1	114.8373	0.002	3	115.3315	4.302	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.6470	0.000	1	114.6470	0.000	1	115.3315	4.302	13	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)	112.9320	0.000	1	112.9320	0.000	1	112.9320	0.000	1	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:P-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pd)	O(C[6a]C[6,6a]C[6a])(PPdOO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OP){1|Pd<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pd){2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(PPdOO)	123.8740	0.000	1	123.8740	0.000	1	123.8740	0.000	1	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	115.4020	0.000	1	115.4020	0.000	1	116.4897	2.355	3	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	O(C[6a]C[6,6a]C[6a])(SO3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(SO3)	117.0335	1.713	2	117.0335	2.935	2	116.4897	2.355	3	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	112.7800	0.000	1	112.7800	0.000	1	116.4745	27.299	2	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	120.1690	0.000	1	120.1690	0.000	1	116.4745	27.299	2	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	123.0220	0.000	1	123.0220	0.000	1	119.2831	6.469	7	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C){2|O<2>,5|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	121.8790	0.000	1	121.1745	0.993	2	119.2831	6.469	7	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	120.4700	0.000	1	121.1745	0.993	2	119.2831	6.469	7	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	118.6330	0.000	1	118.6330	0.000	1	119.2831	6.469	7	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	116.9927	0.512	3	116.9927	0.262	3	119.2831	6.469	7	117.7610	5.360	268	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]O)(C[6]C[6]HH)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6,6a])(H)	120.5435	4.094	6	120.5435	16.763	6	120.5435	16.763	6	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]2)(H)	117.0680	0.000	1	117.0680	0.000	1	117.8064	5.249	7	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6,6]CH)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(OH){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6,6]CH){1|C<4>,4|C<3>}	O(C[6a]C[6,6a]2)(H)	122.8490	0.000	1	122.8490	0.000	1	117.8064	5.249	7	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	O(C[6a]C[6,6a]2)(H)	116.8315	0.797	2	116.8315	0.635	2	117.8064	5.249	7	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HO)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]2)(H)	116.5970	0.235	2	116.5970	0.055	2	117.8064	5.249	7	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]CH)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]CH){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]2)(H)	117.8710	0.000	1	117.8710	0.000	1	117.8064	5.249	7	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.4218	2.452	4	121.4218	6.012	4	121.4218	6.012	4	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	120.5580	2.206	2	120.5580	4.867	2	119.5550	6.488	5	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	117.1705	0.258	2	117.1705	0.067	2	119.5550	6.488	5	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.3180	0.000	1	122.3180	0.000	1	119.5550	6.488	5	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]CH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.0190	0.000	1	117.0190	0.000	1	117.0190	0.000	1	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(OH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	117.2710	0.000	1	117.2710	0.000	1	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	117.8820	0.075	2	117.6220	0.206	3	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	117.1020	0.000	1	117.6220	0.206	3	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC){2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	117.3043	0.682	3	117.3043	0.466	3	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.9580	0.000	1	116.9580	0.000	1	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	115.8190	0.000	1	115.8190	0.000	1	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.9280	0.040	2	116.9280	0.002	2	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	116.8355	0.295	2	116.2850	0.459	4	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	115.5380	0.000	1	116.2850	0.459	4	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	115.9310	0.000	1	116.2850	0.459	4	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	123.3630	0.000	1	123.3630	0.000	1	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.3650	0.000	1	121.3650	0.000	1	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.7480	0.000	1	121.7480	0.000	1	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.5130	0.000	1	116.2995	0.091	2	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.0860	0.000	1	116.2995	0.091	2	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.1750	0.000	1	116.1420	0.002	2	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.1090	0.000	1	116.1420	0.002	2	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.0195	0.204	2	116.0195	0.042	2	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	118.2520	0.744	2	118.2537	0.277	3	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	118.2570	0.000	1	118.2537	0.277	3	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CO){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.5850	0.000	1	119.5850	0.000	1	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	118.2660	0.000	1	118.4426	0.261	5	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	117.7840	0.000	1	118.4426	0.261	5	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	118.3090	0.000	1	118.4426	0.261	5	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	118.9270	0.305	2	118.4426	0.261	5	117.6903	3.186	33	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[3,6]HO)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[3,6]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6,6a])(H)	119.1335	0.353	8	119.1335	0.125	8	119.5375	1.057	11	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	120.6147	1.566	3	120.6147	2.454	3	119.5375	1.057	11	118.6131	5.678	67	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	119.8880	0.000	1	119.8880	0.000	1	118.9355	1.815	2	117.7602	2.481	4	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(CCO)	117.9830	0.000	1	117.9830	0.000	1	118.9355	1.815	2	117.7602	2.481	4	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH)	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	116.5850	0.321	2	116.5850	0.103	2	116.5850	0.103	2	117.7602	2.481	4	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]HH)	O(C[6a]C[5a,6a]C[6,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[6a]C[5a,6a]C[6,6a])(CH3)	119.6160	0.000	1	119.6160	0.000	1	119.6160	0.000	1	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]O)(C[6]C[6]HH){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]2)(CH3)	116.9560	0.000	1	116.9560	0.000	1	117.0415	0.015	2	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]HH)	O(C[6a]C[6,6a]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]2)(CH3)	117.1270	0.000	1	117.1270	0.000	1	117.0415	0.015	2	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]CC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CCHH)	118.7495	0.780	2	118.7495	0.608	2	117.4947	2.372	7	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]CC)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	118.9360	0.000	1	118.9360	0.000	1	117.4947	2.372	7	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	115.8990	0.174	3	115.8990	0.030	3	117.4947	2.372	7	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.3310	0.000	1	118.3310	0.000	1	117.4947	2.372	7	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.0840	0.000	1	116.0840	0.000	1	116.0840	0.000	1	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.3740	0.000	1	114.3740	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.6720	0.000	1	114.6720	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OC){1|H<1>,1|N<4>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<4>,2|C<3>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.8380	0.711	2	116.8380	0.506	2	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.2847	0.140	3	118.2847	0.020	3	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.9510	0.416	2	114.9510	0.173	2	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.0520	0.000	1	115.0520	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.1740	0.000	1	114.7180	0.416	2	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.2620	0.000	1	114.7180	0.416	2	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.6190	0.000	1	115.6190	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2910	0.000	1	115.2910	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH){1|S<2>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.6770	0.000	1	115.6770	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.8310	0.190	4	115.1016	0.129	8	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2350	0.000	1	115.1016	0.129	8	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.1150	0.000	1	115.1016	0.129	8	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.7190	0.000	1	115.1016	0.129	8	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){3|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.4200	0.000	1	115.1016	0.129	8	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2750	0.000	1	115.2750	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2370	0.000	1	115.5863	0.096	3	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<4>,2|C<3>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.8300	0.000	1	115.5863	0.096	3	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.6920	0.000	1	115.5863	0.096	3	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]FF)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]FF){1|C<3>,1|C<4>,1|H<1>,1|O<2>,4|F<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	116.3577	0.584	4	116.3577	0.341	4	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]FF)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]FF){1|C<3>,1|C<4>,1|H<1>,1|O<2>,4|F<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.7810	0.000	1	115.7810	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.2420	0.000	1	114.8395	0.333	11	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<3>,1|O<2>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2322	0.195	4	114.8395	0.333	11	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.5210	0.000	1	114.8395	0.333	11	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.5470	0.000	1	114.8395	0.333	11	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.9680	0.000	1	114.8395	0.333	11	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.2750	0.000	1	114.8395	0.333	11	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.8030	0.000	1	114.8395	0.333	11	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	113.9490	0.000	1	114.8395	0.333	11	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CHHO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CHHO)	114.3110	0.204	2	114.3345	0.047	4	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CHHO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CHHO)	114.5770	0.000	1	114.3345	0.047	4	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CHHO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CHHO)	114.1390	0.000	1	114.3345	0.047	4	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.3390	0.616	3	115.3483	0.254	4	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.3760	0.000	1	115.3483	0.254	4	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6a]C[6,6a]C[6a])(CHHO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CHHO)	115.1045	0.408	2	115.1045	0.166	2	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HS)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HS){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.6700	0.636	2	114.6700	0.405	2	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]CH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2450	0.000	1	115.2450	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.5050	0.000	1	114.6628	0.118	4	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.7153	0.401	3	114.6628	0.118	4	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.5470	0.000	1	114.5470	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.5615	0.320	2	114.2143	0.413	3	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	113.5200	0.000	1	114.2143	0.413	3	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.5650	0.000	1	114.5650	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.9120	0.000	1	117.9120	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.7740	0.000	1	118.7740	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]CH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.9980	0.000	1	118.9980	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.2110	0.000	1	120.2110	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.2192	0.278	5	119.2192	0.077	5	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.8270	0.000	1	118.8270	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(CCHH)	119.9330	0.000	1	119.9330	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.4770	0.000	1	119.2005	0.230	4	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.5080	0.000	1	119.2005	0.230	4	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.5640	0.000	1	119.2005	0.230	4	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.2530	0.000	1	119.2005	0.230	4	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.1120	0.000	1	118.1120	0.000	1	115.9931	3.249	81	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:P-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(PO3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OP){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	O(C[6a]C[6,6a]C[6a])(PO3)	119.7670	0.000	1	119.7670	0.000	1	119.7670	0.000	1	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OS){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	119.0530	0.000	1	119.8555	1.288	2	119.5195	1.579	4	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	120.6580	0.000	1	119.8555	1.288	2	119.5195	1.579	4	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]CH)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	120.4080	0.000	1	120.4080	0.000	1	119.5195	1.579	4	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	117.9590	0.000	1	117.9590	0.000	1	119.5195	1.579	4	116.3500	3.733	98	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[5,6]CC)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[5,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.1060	0.000	1	119.1060	0.000	1	119.1060	0.000	1	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[3x6]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[3x6]O[6])(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	124.5850	0.000	1	124.5850	0.000	1	124.5850	0.000	1	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,7|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.1570	0.000	1	117.1570	0.000	1	118.6047	1.619	3	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.3285	0.308	2	119.3285	0.095	2	118.6047	1.619	3	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]O){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	117.0080	0.280	2	117.0080	0.078	2	117.2520	0.112	4	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,5|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	117.4960	0.136	2	117.4960	0.018	2	117.2520	0.112	4	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]C)(OH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]C)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	119.4710	0.000	1	119.4710	0.000	1	117.9187	1.877	3	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O){2|H<1>,7|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.1425	0.373	2	117.1425	0.139	2	117.9187	1.877	3	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	121.7905	0.988	2	121.7905	0.976	2	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	115.8550	0.033	2	115.8550	0.001	2	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){3|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	115.9630	0.000	1	115.7330	0.106	2	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	115.5030	0.000	1	115.7330	0.106	2	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	115.5385	0.595	2	115.5385	0.354	2	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.4437	0.122	3	117.7413	0.364	4	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|C<4>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.6340	0.000	1	117.7413	0.364	4	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]CC)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	118.8260	0.000	1	118.8260	0.000	1	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.2220	0.000	1	116.2220	0.000	1	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	118.9330	0.000	1	118.9330	0.000	1	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	122.8210	0.000	1	122.8210	0.000	1	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.9640	0.000	1	121.9640	0.000	1	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.0920	0.000	1	117.0920	0.000	1	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.1390	0.000	1	117.1390	0.000	1	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.5635	2.750	2	118.5635	7.562	2	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	119.8980	0.000	1	119.8980	0.000	1	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.8775	3.603	2	120.8775	12.980	2	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.6710	0.000	1	116.6710	0.000	1	118.2899	6.224	25	118.3653	5.606	37	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OC)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HS)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OC){1|C<3>,1|H<1>,1|O<2>,1|S<2>,2|C<4>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HS)(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CCO)	116.8710	0.000	1	116.8710	0.000	1	116.8710	0.000	1	116.8710	0.000	1	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[5,6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[5,6]C[6]2)(C[6a]C[5,6a]O)	O(C[6a]C[5,6a]C[6,6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OC){1|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[5,6]C[6]2)(C[6a]C[5,6a]O){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	O(C[6a]C[5,6a]C[6,6a])(CH3)	119.4410	0.000	1	119.4410	0.000	1	119.4410	0.000	1	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6,6a]O)	O(C[6a]C[6,6a]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])2(OC){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6,6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6,6a]2)(CH3)	118.8710	0.774	6	118.8710	0.600	6	118.8710	0.600	6	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.2370	0.387	2	118.2370	0.150	2	118.2370	0.150	2	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.3860	0.000	1	116.3860	0.000	1	116.4195	0.002	2	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.4530	0.000	1	116.4530	0.000	1	116.4195	0.002	2	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]O){10|H<1>,1|C<4>,1|N<3>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.5790	0.000	1	116.5790	0.000	1	116.5790	0.000	1	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OSi)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cr)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(SiC3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OSi){1|Cr<9>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cr)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(SiC3)	120.0560	0.000	1	120.0560	0.000	1	120.0560	0.000	1	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	118.7270	0.113	2	118.9305	0.361	6	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CCHH)	118.9465	0.112	2	118.9305	0.361	6	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	119.1180	1.276	2	118.9305	0.361	6	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.9205	0.180	2	117.9205	0.033	2	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){3|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.7940	0.000	1	116.7940	0.000	1	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.5560	0.000	1	115.5560	0.000	1	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|O<2>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.0670	0.000	1	115.0670	0.000	1	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.7950	0.068	2	114.7950	0.005	2	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HS)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HS)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.1790	0.000	1	115.1790	0.000	1	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CHHO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CHHO)	113.9830	1.141	2	113.9830	1.302	2	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.5730	0.000	1	114.7160	0.181	5	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.5920	0.000	1	114.7160	0.181	5	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.8050	0.576	3	114.7160	0.181	5	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.9950	0.384	3	114.9950	0.147	3	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.9435	0.540	6	115.0769	0.247	9	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.1660	0.062	2	115.0769	0.247	9	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.6990	0.000	1	115.0769	0.247	9	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2340	0.000	1	115.2604	0.036	7	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2648	0.207	6	115.2604	0.036	7	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.2880	0.000	1	116.0800	0.087	2	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.8720	0.000	1	116.0800	0.087	2	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	114.2658	0.283	6	114.2658	0.080	6	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	115.4570	1.765	4	115.0486	0.786	20	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	114.9466	0.562	16	115.0486	0.786	20	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	115.5520	0.404	2	114.9400	1.967	12	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	114.2843	2.440	4	114.9400	1.967	12	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	115.6155	0.330	2	114.9400	1.967	12	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	114.9520	0.209	4	114.9400	1.967	12	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.6750	0.000	1	116.6750	0.000	1	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|O<2>,3|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2567	0.149	6	115.1267	0.331	9	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.7100	1.444	2	115.1267	0.331	9	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){2|O<2>,3|C<3>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.1800	0.000	1	115.1267	0.331	9	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.1100	0.000	1	116.1100	0.000	1	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.6600	0.000	1	114.6600	0.000	1	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.9990	0.000	1	114.9990	0.000	1	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]C)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]C)(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2500	0.000	1	115.2500	0.000	1	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.2540	0.000	1	114.6515	0.118	8	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.4710	0.436	2	114.6515	0.118	8	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.5160	0.000	1	114.6515	0.118	8	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.8040	0.112	2	114.6515	0.118	8	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){4|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2320	0.000	1	114.6515	0.118	8	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.6600	0.000	1	114.6515	0.118	8	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]CH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]CH)(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.2180	0.000	1	119.2180	0.000	1	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.8060	0.332	2	118.8060	0.110	2	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.8197	0.211	6	118.8197	0.044	6	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.7560	0.000	1	117.7560	0.000	1	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>,3|O<2>}	O(C[6a]C[6,6a]C[6a])(CCHH)	118.5230	0.000	1	118.5230	0.000	1	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.9910	0.000	1	116.7452	6.260	4	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.9967	2.455	3	116.7452	6.260	4	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.7245	0.479	2	118.7245	0.229	2	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.1100	0.492	2	119.4320	0.432	3	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.0760	0.000	1	119.4320	0.432	3	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.3540	0.000	1	117.4960	2.269	4	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.6440	0.000	1	117.4960	2.269	4	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.7760	0.000	1	117.4960	2.269	4	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.2100	0.000	1	117.4960	2.269	4	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.4510	0.000	1	117.4880	0.003	2	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.5250	0.000	1	117.4880	0.003	2	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.6460	0.294	2	118.3699	1.867	7	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.3000	0.000	1	118.3699	1.867	7	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.9133	1.678	3	118.3699	1.867	7	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.2570	0.000	1	118.3699	1.867	7	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.2725	0.206	2	117.2725	0.042	2	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.3880	0.000	1	118.3880	0.000	1	116.0503	3.300	138	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)	120.9350	0.000	1	120.9350	0.000	1	120.9350	0.000	1	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(SCOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(SCOO)	117.4290	0.426	2	117.4290	0.181	2	117.4290	0.181	2	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC){1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,8|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.6770	0.000	1	114.6770	0.000	1	114.0530	0.779	2	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]O){1|C<4>,4|H<1>,6|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	113.4290	0.000	1	113.4290	0.000	1	114.0530	0.779	2	116.2658	3.677	156	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6,6])(OH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)	O(C[6a]C[5a,6a]C[6,6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6,6])(OH){3|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	O(C[6a]C[5a,6a]C[6,6a])(H)	122.2860	0.000	1	122.2860	0.000	1	122.2860	0.000	1	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[5,6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH){2|C<3>,5|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6,6a])(H)	122.5757	0.735	4	122.5656	0.406	5	122.5656	0.406	5	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[5,6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH){3|C<3>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[5,6a]C[6,6a])(H)	122.5250	0.000	1	122.5656	0.406	5	122.5656	0.406	5	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(OH){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O){1|H<1>,3|C<3>,5|C<4>}	O(C[6a]C[6,6a]2)(H)	115.2060	0.000	1	115.2060	0.000	1	115.2060	0.000	1	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.1390	0.000	1	119.8770	0.248	8	119.8770	0.248	8	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,4|C<3>,7|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.9756	0.504	5	119.8770	0.248	8	119.8770	0.248	8	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.7770	0.000	1	119.8770	0.248	8	119.8770	0.248	8	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.2220	0.000	1	119.8770	0.248	8	119.8770	0.248	8	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|H<1>,4|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	116.0635	1.032	2	116.0635	1.064	2	116.3204	0.623	5	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[4,6]C[4,6,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6a](C[4,6]C[4,6,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.4917	0.777	3	116.4917	0.604	3	116.3204	0.623	5	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OH)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	124.7380	0.000	1	124.7380	0.000	1	124.7380	0.000	1	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.0900	0.000	1	120.0900	0.000	1	117.9590	5.819	5	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.9690	0.000	1	120.9690	0.000	1	117.9590	5.819	5	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	116.9880	0.000	1	116.9880	0.000	1	117.9590	5.819	5	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	115.8740	0.198	2	115.8740	0.039	2	117.9590	5.819	5	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.8195	0.018	2	116.8195	0.000	2	119.7480	7.389	22	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	115.6710	0.182	2	115.6710	0.033	2	119.7480	7.389	22	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	114.8650	0.000	1	114.8650	0.000	1	119.7480	7.389	22	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.7630	0.000	1	117.7630	0.000	1	119.7480	7.389	22	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.5420	0.000	1	119.4385	8.849	2	119.7480	7.389	22	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	117.3350	0.000	1	119.4385	8.849	2	119.7480	7.389	22	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.5340	0.000	1	119.5340	0.000	1	119.7480	7.389	22	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.7890	0.000	1	121.7890	0.000	1	119.7480	7.389	22	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.9610	0.000	1	122.9610	0.000	1	119.7480	7.389	22	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){2|C<3>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.2600	0.000	1	120.7343	0.297	7	119.7480	7.389	22	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){2|C<3>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.7473	0.682	4	120.7343	0.297	7	119.7480	7.389	22	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){3|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.9455	0.269	2	120.7343	0.297	7	119.7480	7.389	22	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	118.1380	0.000	1	118.1380	0.000	1	119.7480	7.389	22	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	123.4693	0.566	3	123.4693	0.320	3	119.7480	7.389	22	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|H<1>,2|C<4>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.2450	0.000	1	117.2450	0.000	1	117.2450	0.000	1	119.5341	7.393	49	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(OC)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	114.5590	0.000	1	114.5590	0.000	1	116.2975	6.045	2	116.3473	3.030	3	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|H<1>,4|C<4>}	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	118.0360	0.000	1	118.0360	0.000	1	116.2975	6.045	2	116.3473	3.030	3	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC)	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CNS)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CNS)	116.4470	0.000	1	116.4470	0.000	1	116.4470	0.000	1	116.3473	3.030	3	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	O(C[6a]C[5,6a]C[6,6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6,6a])(CH3)	118.5810	0.000	1	118.5810	0.000	1	118.5810	0.000	1	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[3,6]C[3,6,6]C[3,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[3,6]C[3,6,6]C[3,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.1110	0.000	1	115.1110	0.000	1	115.3370	0.102	2	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.5630	0.000	1	115.5630	0.000	1	115.3370	0.102	2	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	118.3500	0.000	1	120.1343	2.447	3	119.9665	2.187	6	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	121.0265	0.344	2	120.1343	2.447	3	119.9665	2.187	6	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|O<2>,4|C<4>,7|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.6550	0.000	1	119.7987	2.935	3	119.9665	2.187	6	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.8260	0.000	1	119.7987	2.935	3	119.9665	2.187	6	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.9150	0.000	1	119.7987	2.935	3	119.9665	2.187	6	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|O<2>,6|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.3850	0.549	2	115.3850	0.301	2	117.7472	1.577	11	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.3215	0.486	4	118.3215	0.236	4	117.7472	1.577	11	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.5080	0.305	3	118.2326	0.276	5	117.7472	1.577	11	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.4020	0.000	1	118.2326	0.276	5	117.7472	1.577	11	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.2370	0.000	1	118.2326	0.276	5	117.7472	1.577	11	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,2|O<2>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.6350	0.000	1	115.5875	0.005	2	115.8495	1.467	20	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.5400	0.000	1	115.5875	0.005	2	115.8495	1.467	20	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	114.8630	0.000	1	114.8630	0.000	1	115.8495	1.467	20	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.6330	0.000	1	115.6330	0.000	1	115.8495	1.467	20	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.9460	0.536	2	114.9460	0.287	2	115.8495	1.467	20	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.5490	0.000	1	115.5490	0.000	1	115.8495	1.467	20	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|O<2>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.0305	0.511	2	115.0305	0.261	2	115.8495	1.467	20	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,3|H<1>,6|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.6000	0.000	1	115.6000	0.000	1	115.8495	1.467	20	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){2|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.1900	0.000	1	116.1900	0.000	1	115.8495	1.467	20	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.8590	0.000	1	115.5665	0.171	2	115.8495	1.467	20	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.2740	0.000	1	115.5665	0.171	2	115.8495	1.467	20	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>,3|C<4>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.8588	0.683	5	115.8588	0.467	5	115.8495	1.467	20	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.0870	0.000	1	120.0870	0.000	1	115.8495	1.467	20	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.5130	0.000	1	117.5130	0.000	1	115.8495	1.467	20	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(OSi)	C[6,6a](C[5,6]C[5,6]C[5]Mn)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(SiC3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(OSi){1|Mn<8>,1|C<3>,4|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]Mn)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|Cr<9>,1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O(C[6a]C[6,6a]C[6a])(SiC3)	119.5170	0.000	1	119.5170	0.000	1	119.5170	0.000	1	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(OC)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Br<1>,1|N<3>,4|C<3>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.1010	0.000	1	120.1010	0.000	1	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6]C[6,6]C[6]Cr)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC){1|Cr<9>,1|C<3>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]Cr)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O){1|Mn<8>,1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.8550	0.000	1	120.8550	0.000	1	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6]C[6,6]C[6]Cr)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC){1|Cr<9>,2|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]Cr)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.4557	0.034	3	120.4557	0.001	3	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.5520	0.000	1	115.7237	0.032	3	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.8095	0.138	2	115.7237	0.032	3	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.9053	1.155	3	114.9053	1.335	3	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,8|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.1940	0.000	1	116.7117	0.204	4	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,7|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.7300	0.330	2	116.7117	0.204	4	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,8|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.1930	0.000	1	116.7117	0.204	4	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){2|C<3>,3|C<4>,5|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.5820	0.000	1	117.5820	0.000	1	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.7380	0.000	1	115.7380	0.000	1	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,6|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.4755	0.285	2	114.4755	0.081	2	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.2360	0.000	1	116.6210	0.389	3	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.8135	0.746	2	116.6210	0.389	3	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,6|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.5680	0.329	3	115.5680	0.108	3	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.9220	0.000	1	119.9220	0.000	1	116.9160	4.509	26	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OS)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OS){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	119.5390	0.000	1	119.5390	0.000	1	119.5390	0.000	1	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OSi)	C[6,6a](C[6,6]C[6,6]C[6]Cr)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(SiC3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OSi){1|Cr<9>,2|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]Cr)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(SiC3)	119.8360	0.000	1	119.8360	0.000	1	119.8360	0.000	1	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.6320	0.000	1	114.6320	0.000	1	115.1559	0.450	16	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	115.6830	0.350	4	115.6830	0.122	4	115.1559	0.450	16	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,3|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.3115	0.641	2	115.3115	0.411	2	115.1559	0.450	16	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CCCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O){1|H<1>,3|C<4>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CCCH)	115.7355	0.155	2	115.7355	0.024	2	115.1559	0.450	16	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){2|H<1>,6|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.3955	0.825	2	114.3955	0.681	2	115.1559	0.450	16	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.7940	0.000	1	114.4457	0.126	3	115.1559	0.450	16	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<4>,1|O<2>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.2715	0.265	2	114.4457	0.126	3	115.1559	0.450	16	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6,6a]	O	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|H<1>,2|O<2>,6|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.4545	0.260	2	115.4545	0.067	2	115.1559	0.450	16	116.7349	4.013	85	118.5717	8.775	1353	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:1:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])(H)	116.2810	0.024	2	116.8246	1.879	9	116.8246	1.879	9	116.8246	1.879	9	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:1:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])(H)	117.8910	1.961	3	116.8246	1.879	9	116.8246	1.879	9	116.8246	1.879	9	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:1:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O(C[6a]C[6a,6a]N[6a])(H)	116.8745	0.397	2	116.8246	1.879	9	116.8246	1.879	9	116.8246	1.879	9	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:1:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])(H)	115.7185	0.853	2	116.8246	1.879	9	116.8246	1.879	9	116.8246	1.879	9	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC){1|C<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCC)	119.9320	0.000	1	119.2375	0.965	2	119.2375	0.965	2	117.0746	4.395	7	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCC)	118.5430	0.000	1	119.2375	0.965	2	119.2375	0.965	2	117.0746	4.395	7	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])(CC[6a]C)	115.7310	0.000	1	115.7310	0.000	1	117.4445	5.872	2	117.0746	4.395	7	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])(CC[6a]O)	119.1580	0.000	1	119.1580	0.000	1	117.4445	5.872	2	117.0746	4.395	7	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	116.3260	0.000	1	115.6770	0.842	2	115.3860	0.675	3	117.0746	4.395	7	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	115.0280	0.000	1	115.6770	0.842	2	115.3860	0.675	3	117.0746	4.395	7	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[6a]){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	114.8040	0.000	1	114.8040	0.000	1	115.3860	0.675	3	117.0746	4.395	7	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(OC)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	114.8510	0.000	1	114.8510	0.000	1	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC)	C[6a,6a](C[6a,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	115.4720	0.000	1	115.4720	0.000	1	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	115.8280	0.000	1	115.7720	0.011	3	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	115.8350	0.000	1	115.7720	0.011	3	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	115.6530	0.000	1	115.7720	0.011	3	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(OC)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])(CH3)	113.7190	0.465	2	113.7190	0.216	2	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	115.4690	0.000	1	115.4690	0.000	1	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]N[6a])(CC3)	114.5650	0.000	1	114.5650	0.000	1	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	115.1870	0.000	1	115.1945	0.711	4	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	114.0560	0.000	1	115.1945	0.711	4	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	116.0670	0.000	1	115.1945	0.711	4	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	115.4680	0.000	1	115.1945	0.711	4	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	115.2830	0.000	1	115.2830	0.000	1	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CH3)	116.3110	0.000	1	115.3843	0.397	4	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CH3)	115.2140	0.000	1	115.3843	0.397	4	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CH3)	114.9160	0.000	1	115.3843	0.397	4	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CH3)	115.0960	0.000	1	115.3843	0.397	4	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	116.4360	0.000	1	116.4360	0.000	1	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])(CH3)	116.3410	0.000	1	116.4365	0.018	2	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])(CH3)	116.5320	0.000	1	116.4365	0.018	2	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|N<2>,3|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	117.5830	0.000	1	117.5830	0.000	1	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|N<2>,3|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	119.4880	0.000	1	119.4880	0.000	1	115.6126	1.568	23	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[5]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]2H)	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(OS)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(SCOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(OS){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])(SCOO)	114.8135	0.131	2	114.8135	0.017	2	114.8507	0.013	3	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OS)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OS){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])(SC[6a]OO)	114.9250	0.000	1	114.9250	0.000	1	114.8507	0.013	3	115.5211	1.387	27	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.8720	0.000	1	118.6142	1.615	5	118.6142	1.615	5	119.8159	5.576	15	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	119.0498	0.943	4	118.6142	1.615	5	118.6142	1.615	5	119.8159	5.576	15	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.1610	0.000	1	121.0538	6.897	4	120.4168	6.753	10	119.8159	5.576	15	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.6847	3.087	3	121.0538	6.897	4	120.4168	6.753	10	119.8159	5.576	15	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.3918	2.577	5	119.9922	7.475	6	120.4168	6.753	10	119.8159	5.576	15	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.9940	0.000	1	119.9922	7.475	6	120.4168	6.753	10	119.8159	5.576	15	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a,6a]C[6a])(OC)	C[6a,6a](C[6,6a,6a]C[6,6a,6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a,6a]C[6a])(OC){6|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]O){6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	118.5180	0.474	2	118.5180	0.224	2	118.5180	0.224	2	117.9392	6.954	26	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OC){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.8410	0.716	4	118.8410	0.513	4	118.0606	7.656	17	117.9392	6.954	26	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.8800	0.000	1	114.8800	0.000	1	118.0606	7.656	17	117.9392	6.954	26	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]O){2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.3110	0.000	1	114.3110	0.000	1	118.0606	7.656	17	117.9392	6.954	26	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.7600	0.000	1	114.8540	0.018	2	118.0606	7.656	17	117.9392	6.954	26	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.9480	0.000	1	114.8540	0.018	2	118.0606	7.656	17	117.9392	6.954	26	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	119.2409	2.977	8	119.2409	8.860	8	118.0606	7.656	17	117.9392	6.954	26	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]O){1|H<1>,2|C<3>,3|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.8400	0.000	1	118.8400	0.000	1	118.0606	7.656	17	117.9392	6.954	26	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6,6a])(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.0910	0.000	1	115.7500	0.233	2	117.9625	7.783	6	117.9392	6.954	26	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|C<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6,6a])(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.4090	0.000	1	115.7500	0.233	2	117.9625	7.783	6	117.9392	6.954	26	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.9260	0.000	1	114.9260	0.000	1	117.9625	7.783	6	117.9392	6.954	26	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]O){1|O<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.6510	0.000	1	119.6510	0.000	1	117.9625	7.783	6	117.9392	6.954	26	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.8490	0.395	2	120.8490	0.156	2	117.9625	7.783	6	117.9392	6.954	26	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.5790	0.000	1	114.5790	0.000	1	114.5790	0.000	1	117.9392	6.954	26	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OH){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[5,6a])(H)	123.0550	0.724	2	123.0550	0.524	2	123.0550	0.524	2	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(OH){1|N<2>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	117.5275	0.005	2	117.5275	0.000	2	117.5275	0.000	2	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(O[6a]C[6a,6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(O[6a]C[6a,6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	120.5833	1.474	3	120.5833	2.174	3	120.5833	2.174	3	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(O[6a]C[6a,6a])	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(OH){1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(O[6a]C[6a,6a]){1|O<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]2)(H)	119.4225	0.241	2	119.4225	0.058	2	119.4225	0.058	2	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(O[6a]C[6a]){1|O<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.0743	0.731	3	119.0743	0.534	3	119.0743	0.534	3	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]O[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.7870	0.000	1	119.7870	0.000	1	119.7870	0.000	1	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.8230	0.000	1	124.8230	0.000	1	124.8230	0.000	1	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	122.3060	0.000	1	122.3130	0.000	2	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.3200	0.000	1	122.3130	0.000	2	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	117.8520	0.000	1	118.7267	3.443	6	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	119.0397	2.303	4	118.7267	3.443	6	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	118.3490	0.000	1	118.7267	3.443	6	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH){1|Cl<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.1847	0.321	3	120.2120	1.363	5	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Cl<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.6340	0.000	1	120.2120	1.363	5	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	121.8720	0.000	1	120.2120	1.363	5	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	119.7094	1.940	12	119.3140	3.161	50	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	120.7980	0.451	2	119.3140	3.161	50	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	119.8070	1.476	2	119.3140	3.161	50	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	117.1046	1.551	5	119.3140	3.161	50	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	120.1308	1.278	5	119.3140	3.161	50	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.3160	0.680	3	119.3140	3.161	50	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	119.3739	1.680	21	119.3140	3.161	50	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.4615	0.429	2	121.4615	0.184	2	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	120.1637	0.422	3	120.5867	0.834	4	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,2|H<1>,2|I<1>}	O(C[6a]C[6a,6a]C[6a])(H)	121.8560	0.000	1	120.5867	0.834	4	119.5510	3.179	69	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6a])(H)	122.8710	0.000	1	122.8710	0.000	1	120.1967	5.507	3	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	119.2380	0.000	1	118.8595	0.287	2	120.1967	5.507	3	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|O<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.4810	0.000	1	118.8595	0.287	2	120.1967	5.507	3	119.6884	3.498	86	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Br<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(COO)	118.5870	0.000	1	118.5870	0.000	1	118.0290	1.573	21	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCO)	119.3010	0.061	2	118.4964	0.310	9	118.0290	1.573	21	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCO)	118.2666	0.367	7	118.4964	0.310	9	118.0290	1.573	21	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CC[5a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[5a]O)	115.6200	0.000	1	115.6200	0.000	1	118.0290	1.573	21	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	118.7420	0.148	2	118.0626	0.399	7	118.0290	1.573	21	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	117.2060	0.000	1	118.0626	0.399	7	118.0290	1.573	21	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	117.6880	0.632	2	118.0626	0.399	7	118.0290	1.573	21	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	118.1420	0.000	1	118.0626	0.399	7	118.0290	1.573	21	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	118.2300	0.000	1	118.0626	0.399	7	118.0290	1.573	21	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CNO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CNO)	119.4120	0.000	1	119.4120	0.000	1	118.0290	1.573	21	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(COO)	118.1280	0.000	1	118.1280	0.000	1	118.0290	1.573	21	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	113.9570	0.000	1	113.9570	0.000	1	118.0290	1.573	21	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	117.0952	2.023	4	117.0952	4.091	4	117.1513	2.974	9	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	115.4525	1.160	2	116.4510	3.664	3	117.1513	2.974	9	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	118.4480	0.000	1	116.4510	3.664	3	117.1513	2.974	9	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])2	118.3140	0.000	2	118.3140	0.000	2	117.1513	2.974	9	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[6a]){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.8320	0.000	1	119.8320	0.000	1	119.8320	0.000	1	117.8324	2.141	31	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]O)(O[6a]C[6a])	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]O)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	122.3525	2.562	2	122.3525	6.563	2	122.6340	3.519	3	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]O)(O[6a]C[6a])	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]O)(O[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	123.1970	0.000	1	123.1970	0.000	1	122.6340	3.519	3	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OC){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	121.0530	0.000	1	121.0530	0.000	1	121.0530	0.000	1	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5,6a]O)(OC)	C[6a,6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5,6a]O)(OC){1|Se<2>,3|C<3>}	C[6a,6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	120.2180	0.000	1	120.2180	0.000	1	118.6280	7.884	3	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5a,6a]O)(OC)	C[6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5a,6a]O)(OC){1|S<2>,3|C<3>}	C[6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	120.2800	0.000	1	120.2800	0.000	1	118.6280	7.884	3	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.3860	0.000	1	115.3860	0.000	1	118.6280	7.884	3	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]H)(OC){1|Br<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(O[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.4130	0.000	1	117.4130	0.000	1	117.4130	0.000	1	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5a,6a,6a]N[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5a,6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.0380	0.000	1	125.0380	0.000	1	125.0380	0.000	1	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Br<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	121.1243	3.485	3	121.1243	12.146	3	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Br<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.5930	0.000	1	120.5930	0.000	1	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	122.7300	3.984	2	122.7300	15.871	2	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.7810	0.670	3	115.0041	0.253	56	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.0333	0.496	46	115.0041	0.253	56	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.9071	0.537	7	115.0041	0.253	56	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	114.4970	0.000	1	114.4970	0.000	1	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	114.9132	0.370	6	114.9132	0.137	6	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	114.5838	0.541	4	114.5838	0.293	4	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|F<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.5970	0.000	1	115.1802	0.069	16	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.1170	0.000	1	115.1802	0.069	16	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.1930	0.272	7	115.1802	0.069	16	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.2233	0.194	3	115.1802	0.069	16	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.0505	0.474	2	115.1802	0.069	16	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.0235	0.156	2	115.1802	0.069	16	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.6322	0.080	4	115.6322	0.006	4	115.4557	3.302	93	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	114.7303	0.558	3	114.7303	0.311	3	114.7303	0.311	3	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:P-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OP)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(PO3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OP){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(PO3)	115.1800	0.000	1	115.1800	0.000	1	119.5050	14.664	3	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:P-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OP)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(PPdOO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OP){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(PPdOO)	121.6675	1.126	2	121.6675	1.269	2	119.5050	14.664	3	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OS){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	117.9960	0.000	1	117.5678	0.282	10	117.5678	0.282	10	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OS){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	117.7708	0.766	4	117.5678	0.282	10	117.5678	0.282	10	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OS){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	117.3198	0.172	5	117.5678	0.282	10	117.5678	0.282	10	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:Si-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(SiCCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(SiCCO)	119.1355	1.679	2	119.1355	2.820	2	119.1355	2.820	2	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:Si[5]-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(Si[5]N[5,6]O[5]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[5]){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(Si[5]N[5,6]O[5]C)	114.8730	0.000	1	114.8730	0.000	1	114.8730	0.000	1	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:Si[6]-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(Si[6]C[6]2O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[6]){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(Si[6]C[6]2O)	116.9263	1.521	6	116.9263	2.314	6	116.9263	2.314	6	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O[6a]C[6a]){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.0990	0.000	1	116.0990	0.000	1	118.1237	6.364	27	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	116.1470	0.000	1	116.1470	0.000	1	118.1237	6.364	27	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|O<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.9970	0.000	1	115.7439	0.103	12	118.1237	6.364	27	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.0685	0.073	2	115.7439	0.103	12	118.1237	6.364	27	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|O<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.8460	0.218	5	115.7439	0.103	12	118.1237	6.364	27	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|O<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.3907	0.189	4	115.7439	0.103	12	118.1237	6.364	27	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.6915	0.421	2	120.6283	0.568	13	118.1237	6.364	27	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.8570	0.000	1	120.6283	0.568	13	118.1237	6.364	27	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.1973	0.183	3	120.6283	0.568	13	118.1237	6.364	27	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|O<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.6890	0.593	3	120.6283	0.568	13	118.1237	6.364	27	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.6840	0.000	1	120.6283	0.568	13	118.1237	6.364	27	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|O<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.1950	0.619	3	120.6283	0.568	13	118.1237	6.364	27	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[5]){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)	121.1650	0.921	2	121.1650	0.848	2	121.1650	0.848	2	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]F)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(S[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]F)(OC){1|F<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(S[6a]C[6a]){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.5050	0.000	1	116.5050	0.000	1	116.5050	0.000	1	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:S-4:	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(SCOO)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(OS){1|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(SCOO)	116.3118	0.365	5	116.3118	0.133	5	116.3118	0.133	5	116.5894	6.471	162	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	3:5:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:Si[4]-5:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[4])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(Si[4]N[4]2FF)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[4]){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(Si[4]N[4]2FF)	116.3660	0.000	1	116.3660	0.000	1	116.3660	0.000	1	116.3660	0.000	1	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	4:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	Ga[5]-4:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(Ga[5]N[5,6a]N[5,6]O)(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5]){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	O(Ga[5]N[5,6a]N[5,6]O)(C[6a]C[6a,6a]C[6a])	118.3950	0.000	1	118.3950	0.000	1	118.3950	0.000	1	118.3950	0.000	1	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:2:	5:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	Ga[5,5]-5:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5,5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(Ga[5,5]N[5,6]3O[5])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5,5]){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	O(Ga[5,5]N[5,6]3O[5])(C[6a]C[6a,6a]C[6a])	118.2150	0.000	1	118.2150	0.000	1	118.2150	0.000	1	118.2150	0.000	1	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(OH)	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6a]C[6,6a]O)2	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(OH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6a]C[6,6a]O)2{1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	118.9870	0.000	1	118.9870	0.000	1	118.9870	0.000	1	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[5,6a])(H)	121.5880	0.000	1	119.7877	19.155	3	120.5978	10.811	5	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[5,6a])(H)	122.9770	0.000	1	119.7877	19.155	3	120.5978	10.811	5	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|S<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[5,6a])(H)	114.7980	0.000	1	119.7877	19.155	3	120.5978	10.811	5	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[5,6a])(H)	121.7330	0.000	1	121.7330	0.000	1	120.5978	10.811	5	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[5,6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[5,6a]O)(C[6a]N[6a]O){2|C<3>,3|C<4>}	O(C[6a]C[6a,6a]C[5,6a])(H)	121.8930	0.000	1	121.8930	0.000	1	120.5978	10.811	5	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]N[6a]O){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	120.2810	0.000	1	120.2810	0.000	1	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(OH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6,6a]O){1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	118.6370	1.825	3	118.6370	3.331	3	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6,6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(OH){1|O<2>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6,6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	121.2100	0.000	1	121.2100	0.000	1	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	116.5360	0.153	4	116.6391	0.067	7	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	116.9690	0.000	1	116.6391	0.067	7	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(H)	116.9770	0.000	1	116.6391	0.067	7	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(H)	116.3840	0.000	1	116.6391	0.067	7	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	118.2260	0.000	1	117.8170	0.081	4	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(H)	117.7370	0.001	2	117.8170	0.081	4	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(H)	117.5680	0.000	1	117.8170	0.081	4	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,2|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	116.5980	0.000	1	116.5980	0.000	1	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	119.0110	0.000	1	119.0110	0.000	1	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(H)	119.9068	0.399	8	120.0187	0.160	12	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	120.1980	0.560	2	120.0187	0.160	12	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	120.2875	0.145	2	120.0187	0.160	12	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6,6a]O){1|C<4>,4|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	120.1447	0.538	3	120.6397	0.899	7	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6,6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(H)	121.0110	1.084	4	120.6397	0.899	7	119.0664	2.857	37	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(OH)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(OH){1|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O){2|O<1>,2|O<2>,4|C<3>}	O(C[6a]C[6a,6a]2)(H)	126.7960	0.000	1	126.7960	0.000	1	126.7960	0.000	1	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(OH){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]2)(H)	111.7270	0.000	1	111.7270	0.000	1	119.4696	20.250	13	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)2	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(OH){1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)2{2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]2)(H)	122.4465	0.107	2	122.4465	0.011	2	119.4696	20.250	13	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]2)(H)	124.3100	0.000	1	124.3100	0.000	1	119.4696	20.250	13	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]2)(H)	116.7810	0.000	1	119.0033	23.265	7	119.4696	20.250	13	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]2)(H)	119.3737	5.174	6	119.0033	23.265	7	119.4696	20.250	13	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]N)	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){2|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]2)(H)	119.5760	0.865	2	119.5760	0.749	2	119.4696	20.250	13	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.5980	0.000	1	122.5980	0.000	1	122.5980	0.000	1	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(OH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	114.3090	0.000	1	114.3090	0.000	1	116.5854	0.353	47	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.6349	0.493	46	116.6349	0.243	46	116.5854	0.353	47	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.1827	0.284	3	117.1827	0.081	3	117.8130	2.898	7	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.5540	0.000	1	117.5540	0.000	1	117.8130	2.898	7	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	119.1140	3.519	2	119.1140	12.380	2	117.8130	2.898	7	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	117.3610	0.000	1	117.3610	0.000	1	117.8130	2.898	7	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|O<1>,3|C<3>,3|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	122.3070	0.000	1	122.3070	0.000	1	121.5277	8.842	3	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	118.2420	0.000	1	118.2420	0.000	1	121.5277	8.842	3	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(OH){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>,3|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	124.0340	0.000	1	124.0340	0.000	1	121.5277	8.842	3	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OH){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.4040	0.000	1	121.4040	0.000	1	121.4040	0.000	1	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	114.1430	0.000	1	114.1430	0.000	1	119.6104	16.096	5	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]O)2{1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.3910	0.000	1	121.3910	0.000	1	119.6104	16.096	5	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.6230	0.000	1	116.6230	0.000	1	119.6104	16.096	5	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.9475	0.350	2	122.9475	0.123	2	119.6104	16.096	5	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	118.1570	0.000	1	118.1570	0.000	1	120.8990	16.747	6	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH){1|C<4>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	125.4050	0.000	1	124.9445	0.424	2	120.8990	16.747	6	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH){1|C<4>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.4840	0.000	1	124.9445	0.424	2	120.8990	16.747	6	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){4|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.7575	0.384	2	116.7575	0.147	2	120.8990	16.747	6	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	123.8330	0.000	1	123.8330	0.000	1	120.8990	16.747	6	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(OH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(OH){1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,3|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	122.3020	1.073	2	122.3020	1.152	2	123.2130	3.066	3	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]O)(OH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]O)(OH){1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,4|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	125.0350	0.000	1	125.0350	0.000	1	123.2130	3.066	3	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]C)(OH)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]C)(OH){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.2083	0.520	3	120.2083	0.270	3	120.2083	0.270	3	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(OH){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.6564	0.851	11	117.6564	0.724	11	118.8600	5.778	19	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.5990	0.669	4	118.5990	0.447	4	118.8600	5.778	19	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.9520	0.045	2	119.9520	0.002	2	118.8600	5.778	19	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.5650	0.000	1	123.5650	0.000	1	118.8600	5.778	19	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	126.2550	0.000	1	126.2550	0.000	1	118.8600	5.778	19	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4,6a]H)(OH)	C[6a,6a](C[6a,6a]C[4,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4,6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[4,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.2670	0.000	1	115.2670	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(OH)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	115.4290	0.325	2	115.4290	0.106	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(OH)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(OH){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.9790	0.000	1	119.9790	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(OH)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(OH){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	114.6230	0.000	1	114.6230	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OH)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.0120	0.000	1	116.0120	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]Si)(OH)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]Si)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.5440	0.000	1	118.5440	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.0600	0.000	1	115.0027	0.082	4	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	114.8025	0.214	2	115.0027	0.082	4	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	115.3460	0.000	1	115.0027	0.082	4	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]O)2{1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.7790	0.000	1	116.7790	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OH){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]O)2{1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	121.9300	0.000	1	121.9300	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.4830	0.000	1	116.7463	1.640	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.8780	1.782	2	116.7463	1.640	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	115.2180	0.000	1	114.4970	1.040	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	113.7760	0.000	1	114.4970	1.040	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OH){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]O)2{1|Br<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.8640	0.000	1	122.8640	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	114.9760	0.000	1	114.9760	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){2|C<4>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.2580	0.000	1	118.2580	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH)	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.4330	0.219	3	117.4330	0.048	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH)	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6a]C[6a]O)2{1|C<4>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.8730	0.320	3	119.8730	0.102	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.9690	0.000	1	115.9320	0.075	6	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.8067	0.177	4	115.9320	0.075	6	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.3960	0.000	1	115.9320	0.075	6	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH)	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.3185	0.521	2	120.3185	0.272	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(OH)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(OH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.3230	0.000	1	117.3230	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	115.2130	0.000	1	115.2130	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(OH){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.0010	0.000	1	120.0010	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(OH){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	113.0770	0.000	1	115.8033	12.484	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(OH){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.1665	3.717	2	115.8033	12.484	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.1770	0.000	1	116.1770	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|N<2>}	O(C[6a]C[6a,6a]C[6a])(H)	117.2260	0.000	1	117.2260	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	113.7000	0.000	1	113.7000	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|O<1>,2|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6a]C[6a]O)2{1|C<4>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.5210	0.175	2	119.5210	0.031	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.9930	0.505	4	116.9930	0.255	4	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	114.2080	0.000	1	115.1133	0.615	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.5660	0.011	2	115.1133	0.615	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	121.6050	0.000	1	121.6050	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	114.5080	0.000	1	114.5080	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.3000	0.373	2	115.1277	0.159	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Br<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	114.7830	0.000	1	115.1277	0.159	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){2|Br<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.6570	0.000	1	118.6570	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|Br<1>,1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.8690	0.000	1	120.8690	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.7790	0.717	2	116.7790	0.514	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]O[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.2100	0.000	1	121.2238	0.247	5	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]O[6a]O){5|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.7690	0.024	2	121.2238	0.247	5	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]O[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.6855	0.385	2	121.2238	0.247	5	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	114.9735	0.240	2	116.4910	1.231	56	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	114.4960	0.000	1	116.4910	1.231	56	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.7750	0.000	1	116.4910	1.231	56	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.0160	0.948	2	116.4910	1.231	56	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	117.8440	0.478	2	116.4910	1.231	56	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	117.0230	2.913	5	116.4910	1.231	56	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.5000	0.000	1	116.4910	1.231	56	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.5310	0.000	1	116.4910	1.231	56	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.9180	0.744	4	116.4910	1.231	56	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	115.3600	0.000	1	116.4910	1.231	56	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.5105	0.639	36	116.4910	1.231	56	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.5230	0.362	2	119.2976	5.759	8	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.1050	0.000	1	119.2976	5.759	8	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.6505	3.873	2	119.2976	5.759	8	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	119.6430	1.118	3	119.2976	5.759	8	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.7990	0.000	1	119.7990	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.4860	0.000	1	115.9976	2.975	14	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	115.8830	0.000	1	115.9976	2.975	14	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	120.0500	0.000	1	115.9976	2.975	14	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.0763	0.411	3	115.9976	2.975	14	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	114.0132	0.756	4	115.9976	2.975	14	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.0662	0.478	4	115.9976	2.975	14	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)2{1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.9230	0.000	1	122.9230	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.9595	0.956	4	119.2651	0.649	7	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){2|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.6727	0.376	3	119.2651	0.649	7	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.5640	0.699	2	122.5640	0.488	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	118.2100	0.000	1	117.8515	0.257	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.4930	0.000	1	117.8515	0.257	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.4246	2.935	8	116.4682	5.641	15	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6a])(H)	115.1235	0.237	2	116.4682	5.641	15	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.0758	1.812	5	116.4682	5.641	15	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.3225	0.508	2	119.0510	0.563	6	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	119.1620	0.823	2	119.0510	0.563	6	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6a])(H)	119.5430	0.000	1	119.0510	0.563	6	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6a])(H)	119.7940	0.000	1	119.0510	0.563	6	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.3570	0.000	1	115.7555	0.724	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.1540	0.000	1	115.7555	0.724	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	121.7230	0.000	1	121.4250	0.340	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	120.7530	0.000	1	121.4250	0.340	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	121.7990	0.000	1	121.4250	0.340	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.5860	0.000	1	116.5860	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	113.8070	0.000	1	118.2075	9.601	4	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	118.9695	0.043	2	118.2075	9.601	4	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	121.0840	0.000	1	118.2075	9.601	4	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]O)2{1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.2700	0.000	1	122.2700	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6a]O[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.0750	0.000	1	122.0015	0.011	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6a]O[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	121.9280	0.000	1	122.0015	0.011	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]N[6a]H){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.6090	0.000	1	117.6090	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]O[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.0200	0.669	2	122.0200	0.447	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(C[6a]O[6a]O){1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.0840	0.000	1	122.0840	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.7825	0.332	2	115.7825	0.110	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.2340	0.000	1	122.6887	0.187	4	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	122.8403	0.377	3	122.6887	0.187	4	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){4|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	123.4250	0.000	3	123.4250	0.000	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	118.1250	0.000	1	118.0078	9.443	14	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	117.5390	0.000	1	118.0078	9.443	14	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|P<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	117.8240	0.232	2	118.0078	9.443	14	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	118.0797	3.687	10	118.0078	9.443	14	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|I<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.3500	0.000	1	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.8200	0.000	1	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	117.3650	1.175	2	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.3190	0.000	1	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	117.0310	0.000	1	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.2230	0.000	1	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.6610	0.000	1	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.9060	0.000	1	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.3890	0.110	2	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.2330	0.000	1	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	116.0600	0.293	2	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.2638	0.760	4	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.6180	0.000	1	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	114.2360	2.370	3	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.5119	1.356	8	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.0016	0.527	10	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.7135	0.738	2	115.9069	1.203	42	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	122.0640	0.000	1	121.4697	0.251	15	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.2165	0.112	2	121.4697	0.251	15	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	121.8203	0.556	3	121.4697	0.251	15	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	121.3430	0.486	9	121.4697	0.251	15	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	122.9430	0.000	1	121.7134	1.278	9	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	121.2820	1.151	6	121.7134	1.278	9	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	122.5480	0.000	1	121.7134	1.278	9	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	122.2380	0.000	1	121.7134	1.278	9	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]O){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	120.5540	0.000	1	120.5540	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.4870	0.122	2	120.3844	0.127	5	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.8460	0.000	1	120.3844	0.127	5	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.0510	0.190	2	120.3844	0.127	5	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.6970	0.000	1	115.5333	0.183	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.0480	0.000	1	115.5333	0.183	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.8550	0.000	1	115.5333	0.183	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	120.4570	0.922	2	120.4913	0.476	7	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	120.5050	0.708	5	120.4913	0.476	7	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.7790	0.000	1	120.4868	0.486	8	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.7020	0.000	1	120.4868	0.486	8	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.8980	0.000	1	120.4868	0.486	8	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.1285	0.476	2	120.4868	0.486	8	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.7600	0.000	1	120.4868	0.486	8	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.2490	0.765	2	120.4868	0.486	8	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	119.6780	0.000	1	119.8445	0.313	82	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	120.0850	0.000	1	119.8445	0.313	82	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.7870	0.000	1	119.8445	0.313	82	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.3610	0.554	10	119.8445	0.313	82	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	120.9700	0.000	1	119.8445	0.313	82	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	119.7661	0.545	45	119.8445	0.313	82	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|S<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	119.7645	0.278	2	119.8445	0.313	82	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	119.4911	0.381	10	119.8445	0.313	82	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.8369	0.417	11	119.8445	0.313	82	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	120.4970	0.000	1	120.4970	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.9820	0.000	1	117.9820	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[6a,6a]C[6a])(H)	115.9230	0.000	1	115.9230	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	115.2255	1.003	2	115.2255	1.007	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<1>,3|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	126.4300	0.017	2	126.4300	0.000	2	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	116.5735	0.351	2	118.3731	5.838	8	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<1>,3|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	118.4847	1.671	3	118.3731	5.838	8	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.4613	3.542	3	118.3731	5.838	8	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.1507	0.705	3	121.7502	0.973	4	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.5490	0.000	1	121.7502	0.973	4	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|Br<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.4474	0.225	5	120.3150	0.195	30	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.6322	0.501	5	120.3150	0.195	30	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	120.0427	0.398	8	120.3150	0.195	30	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	120.2959	0.463	11	120.3150	0.195	30	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|C<3>,3|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	120.4550	0.000	1	120.3150	0.195	30	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|P<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	114.7320	0.000	1	114.7320	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	115.6117	1.718	3	115.6117	2.951	3	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.5570	0.000	1	117.5570	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|S<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	118.3550	0.000	1	118.3550	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	117.2030	0.000	1	117.2030	0.000	1	118.4432	6.427	447	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.7170	0.000	1	117.7170	0.000	1	116.8365	1.551	2	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	115.9560	0.000	1	115.9560	0.000	1	116.8365	1.551	2	118.4858	6.727	601	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	118.5178	0.191	4	118.5178	0.037	4	118.8764	0.229	8	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	118.8860	0.000	1	119.2350	0.155	4	118.8764	0.229	8	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	119.3513	0.390	3	119.2350	0.155	4	118.8764	0.229	8	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(OC[6a])	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(OC[6a]){5|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	117.1840	0.000	1	117.8263	0.681	4	117.8263	0.681	4	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(OC[6a])	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(OC[6a]){5|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.0403	0.864	3	117.8263	0.681	4	117.8263	0.681	4	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	118.5330	0.000	1	118.5330	0.000	1	118.3910	0.040	2	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	118.2490	0.000	1	118.2490	0.000	1	118.3910	0.040	2	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|B<3>,1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	113.8820	0.359	2	113.8820	0.129	2	113.8820	0.129	2	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6,6,6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6,6,6a,6a]C[6,6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CHH)	C[6a](C[6a,6a]C[6,6,6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6,6,6a,6a]C[6,6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|P<4>}	O(C[6a]C[6a,6a]C[6a])(CHH)	115.5010	0.000	1	115.5010	0.000	1	115.5010	0.000	1	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CHH)	C[6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	O(C[6a]C[6a,6a]C[6a])(CHH)	114.1030	0.000	1	114.1030	0.000	1	114.1030	0.000	1	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|H<1>,7|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	116.6330	0.000	1	116.6330	0.000	1	116.6330	0.000	1	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	114.6618	0.920	9	114.6618	0.847	9	114.6280	0.683	11	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])2	114.4760	0.000	2	114.4760	0.000	2	114.6280	0.683	11	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OC)	C[6a,6a](C[6a,6a]C[5a,6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[5a,6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	113.8650	0.000	1	113.8650	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]O){1|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	118.3090	0.000	1	118.3090	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	116.4320	0.000	1	116.4320	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	118.1065	0.719	2	118.1065	0.517	2	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCO)	116.6510	0.000	1	116.6510	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	117.2960	0.000	1	117.2960	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(COO)	115.9565	0.568	2	115.9565	0.322	2	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	115.2600	0.000	1	115.2600	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCO)	115.9810	0.000	1	115.9810	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	118.7530	0.000	1	118.7530	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCH)	113.8520	0.000	1	113.8520	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCO)	115.7090	0.000	1	115.3215	0.300	2	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCO)	114.9340	0.000	1	115.3215	0.300	2	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	119.3790	0.000	1	119.3790	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6]O)	117.1653	0.628	6	117.1653	0.394	6	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	117.6410	0.212	2	117.6410	0.045	2	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	122.4480	0.000	1	122.4480	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCO)	117.1580	0.000	1	117.1580	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]C)	113.8330	0.000	1	113.8330	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	117.0725	0.237	2	117.0725	0.056	2	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(COO)	115.8860	0.000	1	115.8860	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	117.3910	2.743	4	117.3910	7.524	4	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|H<1>,1|O<2>,1|S<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	120.1220	0.000	1	119.8217	0.558	3	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	119.6715	0.991	2	119.8217	0.558	3	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(OC){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	118.1680	0.000	1	118.1680	0.000	1	117.1971	3.738	38	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5])	117.4230	0.858	2	117.4230	0.737	2	117.4230	0.737	2	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC[6]){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	115.6125	0.261	2	115.6125	0.068	2	115.6125	0.068	2	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])2	123.0005	2.583	2	123.0005	6.672	2	117.4134	7.467	25	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	115.7630	0.000	1	115.7630	0.000	1	117.4134	7.467	25	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC[6a]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]2)	116.4620	0.000	1	116.4620	0.000	1	117.4134	7.467	25	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){4|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])2	120.6340	0.983	2	120.6340	0.966	2	117.4134	7.467	25	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	116.6855	1.333	4	115.8388	2.874	6	117.4134	7.467	25	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	114.1455	0.663	2	115.8388	2.874	6	117.4134	7.467	25	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	118.0580	0.000	1	118.0580	0.000	1	117.4134	7.467	25	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	116.9380	0.000	1	118.4592	1.134	4	117.4134	7.467	25	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.9663	0.397	3	118.4592	1.134	4	117.4134	7.467	25	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]S)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]S){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.4120	0.000	1	119.4120	0.000	1	117.4134	7.467	25	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|Se<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.0350	0.000	1	119.0350	0.000	1	117.4134	7.467	25	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	114.6628	0.836	5	114.6628	0.698	5	117.4134	7.467	25	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC[6a]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	117.1510	0.000	1	117.1510	0.000	1	117.4134	7.467	25	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(POO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(POO)	115.9393	1.474	3	115.9393	2.173	3	115.9393	2.173	3	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	119.2440	1.507	4	119.2440	2.272	4	119.2440	2.272	4	117.0547	4.856	104	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	118.9910	0.000	1	118.9910	0.000	1	118.9910	0.000	1	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	114.7523	0.274	4	114.7523	0.075	4	114.9571	1.081	9	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[5a,6a]C[6a,6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])(CCHH)	114.4530	0.000	1	114.4530	0.000	1	114.9571	1.081	9	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	114.1140	0.000	1	114.1140	0.000	1	114.9571	1.081	9	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	114.0430	0.000	1	115.7325	5.709	2	114.9571	1.081	9	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	117.4220	0.000	1	115.7325	5.709	2	114.9571	1.081	9	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	115.5730	0.000	1	115.5730	0.000	1	114.9571	1.081	9	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6,6a]-3:C[6a,6a]-3:O-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(OS)	C[6a,6a](C[6a]C[6,6,6a]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	O(C[6a]C[6,6,6a]C[6a,6a])(SC[6a]OO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(OS){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6,6,6a]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6,6,6a]C[6a,6a])(SC[6a]OO)	117.1490	0.358	2	117.1490	0.128	2	117.1490	0.128	2	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a,6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[5,6a,6a]C[6a])(OC)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[5,6a,6a]C[6a])(OC){1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	115.7340	0.000	1	115.7340	0.000	1	115.7340	0.000	1	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[4,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(OSi)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[4,6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(OSi){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[4,6a])(SiC3)	118.7955	0.005	2	118.7955	0.000	2	118.7955	0.000	2	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[5,6a]O)	O(C[6a]C[6a,6a]C[5,6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(OC){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[5,6a]O){1|H<1>,7|C<3>}	O(C[6a]C[6a,6a]C[5,6a])(CCHH)	120.5840	0.000	1	120.5840	0.000	1	120.5840	0.000	1	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6,6a]H)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6,6a]H){2|C<3>,2|C<4>,2|O<2>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	113.6190	0.000	1	113.6190	0.000	1	119.1229	15.139	8	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6,6a]O)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6,6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	118.6840	0.000	1	118.6840	0.000	1	119.1229	15.139	8	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	118.6710	0.000	1	118.6710	0.000	1	119.1229	15.139	8	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5,6a]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	118.9055	4.847	2	118.9055	23.496	2	119.1229	15.139	8	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[5,6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	123.4250	0.000	1	123.4250	0.000	1	119.1229	15.139	8	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	120.3865	5.477	2	120.3865	29.993	2	119.1229	15.139	8	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	115.3630	0.000	1	115.3630	0.000	1	115.3630	0.000	1	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	116.9680	0.000	1	117.8254	0.351	5	119.4415	3.488	10	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|O<2>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	117.8070	0.000	1	117.8254	0.351	5	119.4415	3.488	10	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	118.5670	0.000	1	117.8254	0.351	5	119.4415	3.488	10	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	118.1250	0.000	1	117.8254	0.351	5	119.4415	3.488	10	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	117.6600	0.000	1	117.8254	0.351	5	119.4415	3.488	10	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	119.7450	0.000	1	119.7450	0.000	1	119.4415	3.488	10	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	121.0870	0.000	1	121.0870	0.000	1	119.4415	3.488	10	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6,6a])(CH3)	121.4853	0.893	3	121.4853	0.798	3	119.4415	3.488	10	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(OC){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a,6a]2)(CH3)	121.3410	0.000	1	121.3410	0.000	1	122.3341	0.237	7	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]2)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(OC){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]2)(CCHH)	122.4997	0.232	6	122.4997	0.054	6	122.3341	0.237	7	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OB)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(BC[6a]3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OB){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]2)(BC[6a]3)	120.5205	1.597	2	120.5205	2.552	2	120.5205	2.552	2	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(OC){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]2)(CCHH)	116.0783	0.098	6	116.0783	0.010	6	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(OC){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]2)(CH3)	116.3580	0.000	1	116.3580	0.000	1	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(OC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]2)(CH3)	120.5650	0.000	1	120.5650	0.000	1	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]2)(CCHH)	119.1677	0.337	6	119.1677	0.113	6	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]2)(CH3)	119.5820	0.000	1	119.5820	0.000	1	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){1|C<2>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]O){1|C<2>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]2)(CH3)	119.8840	0.175	2	119.8840	0.031	2	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)	O(C[6a]C[6a,6a]2)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]2)(CC[6a]HH)	118.7160	0.000	1	118.7160	0.000	1	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]Br)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){1|Br<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]Br){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]2)(CH3)	121.4810	0.000	1	121.4810	0.000	1	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]2)(CCHH)	118.7005	0.462	8	118.7137	0.318	19	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]2)(CCHH)	118.7233	0.649	11	118.7137	0.318	19	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]2)(CC[6a]HH)	119.0520	0.000	1	119.0520	0.000	1	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){1|Br<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]2)(CH3)	116.9530	0.000	1	118.3742	0.659	11	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){1|C<2>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]2)(CH3)	117.5220	0.330	2	118.3742	0.659	11	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]2)(CH3)	117.6840	0.000	1	118.3742	0.659	11	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]2)(CH3)	118.9710	0.000	1	118.3742	0.659	11	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]2)(CH3)	118.8090	0.621	2	118.3742	0.659	11	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]2)(CH3)	118.9615	0.099	4	118.3742	0.659	11	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]Se)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|Se<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]Se){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]2)(CH3)	117.9335	0.093	2	117.9335	0.009	2	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]2)(CH3)	119.8420	0.000	1	119.8420	0.000	1	118.4978	1.488	53	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(N[6a]C[6a]H)	O(C[6a]C[6a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(OC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(N[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]2)(CH3)	118.8650	0.000	1	118.8650	0.000	1	118.8650	0.000	1	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	B[6a]-3:C[3x6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](B[6a]C[6a]N[6a])(C[3x6a]C[3x6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC){2|N<3>,3|C<3>}	C[6a,6a](B[6a]C[6a]N[6a])(C[3x6a]C[3x6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.8367	0.933	12	119.8367	0.870	12	119.8367	0.870	12	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[3x6a]C[3x6a]2)(B[6a]N[6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC){1|O<2>,2|C<3>,2|N<3>}	C[6a,6a](C[3x6a]C[3x6a]2)(B[6a]N[6a]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.1080	0.000	1	118.1080	0.000	1	118.1080	0.000	1	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(OC){5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	117.3290	0.000	1	117.3290	0.000	1	119.0625	8.381	11	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.8940	1.311	2	117.8940	1.719	2	119.0625	8.381	11	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.5678	0.440	4	116.5678	0.194	4	119.0625	8.381	11	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.0815	0.661	2	122.0815	0.437	2	119.0625	8.381	11	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC){1|N<2>,1|O<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]O){1|O<2>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.0680	0.346	2	123.0680	0.120	2	119.0625	8.381	11	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5,6a]O)(OC)	C[6a,6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5,6a]O)(OC){1|Se<2>,1|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|N<2>,1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	119.8260	0.000	1	119.8260	0.000	1	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]O)(OC)	C[6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]O)(OC){1|N<2>,1|S<2>,3|C<3>}	C[6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|N<2>,1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	119.6740	0.000	1	119.6740	0.000	1	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(OC)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.1870	0.598	11	114.1870	0.357	11	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	112.4230	0.000	1	112.4230	0.000	1	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.4160	0.000	1	117.2158	1.088	35	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.8758	1.275	18	117.2158	1.088	35	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.3739	0.517	8	117.2158	1.088	35	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.9075	0.136	2	117.2158	1.088	35	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.7612	0.689	6	117.2158	1.088	35	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|N<3>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.5830	0.000	1	119.5830	0.000	1	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.7400	0.000	1	116.0345	0.995	2	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.3290	0.000	1	116.0345	0.995	2	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.5530	0.000	1	115.5530	0.000	1	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)2{2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.5695	0.112	2	117.3017	0.100	4	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)2{2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.0340	0.006	2	117.3017	0.100	4	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.3290	0.519	2	115.3290	0.269	2	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|S<4>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	115.3140	0.000	1	115.3140	0.000	1	116.5486	2.950	60	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OS)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SCOO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OS){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(SCOO)	117.8396	0.892	12	117.8396	0.796	12	117.7738	0.786	13	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(OS)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SCOO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(OS){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(SCOO)	116.9850	0.000	1	116.9850	0.000	1	117.7738	0.786	13	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,2|B<3>,2|C<3>}	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H){1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.2617	0.490	12	117.3055	0.245	13	117.3055	0.245	13	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,2|B<3>,2|C<3>}	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H){2|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.8320	0.000	1	117.3055	0.245	13	117.3055	0.245	13	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2{2|C<3>,4|C<4>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.5920	0.348	4	120.5920	0.121	4	119.0514	3.770	10	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.5400	0.537	2	116.5400	0.289	2	119.0514	3.770	10	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	117.8670	0.433	2	117.8670	0.187	2	119.0514	3.770	10	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.5920	0.000	1	121.5920	0.000	1	119.0514	3.770	10	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.7400	0.000	1	117.7400	0.000	1	119.0514	3.770	10	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.7850	0.000	1	115.7850	0.000	1	115.7850	0.000	1	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[3x6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	115.6140	0.000	1	115.6195	0.000	2	115.6195	0.000	2	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[3x6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]O){1|N<2>,2|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	115.6250	0.000	1	115.6195	0.000	2	115.6195	0.000	2	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6,6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]O){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.0110	0.000	1	118.7400	3.078	4	118.7400	3.078	4	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6,6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.3163	1.620	3	118.7400	3.078	4	118.7400	3.078	4	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.6180	0.000	1	114.6180	0.000	1	115.1472	0.302	4	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.0300	0.000	1	115.0300	0.000	1	115.1472	0.302	4	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.4705	0.636	2	115.4705	0.404	2	115.1472	0.302	4	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.5080	0.000	1	114.5080	0.000	1	116.7402	7.080	6	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|O<2>,1|S<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|P<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.2370	0.000	1	114.2370	0.000	1	116.7402	7.080	6	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|O<2>,1|S<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.3690	0.000	1	114.3690	0.000	1	116.7402	7.080	6	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.5955	0.523	2	119.5955	0.273	2	116.7402	7.080	6	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.1360	0.000	1	118.1360	0.000	1	116.7402	7.080	6	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.2600	0.000	1	114.2600	0.000	1	114.2600	0.000	1	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.2900	0.646	3	115.3735	0.509	6	115.3735	0.509	6	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.4570	0.914	3	115.3735	0.509	6	115.3735	0.509	6	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	122.2580	0.000	1	122.2580	0.000	1	122.2580	0.000	1	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.2865	0.452	11	115.2865	0.204	11	115.8246	1.982	16	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<4>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.0305	0.261	2	116.0305	0.068	2	115.8246	1.982	16	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.1295	0.415	2	116.1295	0.172	2	115.8246	1.982	16	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.7220	0.000	1	120.7220	0.000	1	115.8246	1.982	16	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	117.6160	0.000	1	117.6160	0.000	1	117.8628	0.109	6	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]O){2|H<1>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	117.9122	0.344	5	117.9122	0.118	5	117.8628	0.109	6	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:B[6a]-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(OB[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(B[6a]O[6a]2O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(OB[6a]){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(B[6a]O[6a]2O)	120.0255	0.613	2	120.0255	0.376	2	120.0255	0.376	2	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.4830	0.000	1	121.4983	0.047	3	117.3031	3.862	22	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.5060	0.305	2	121.4983	0.047	3	117.3031	3.862	22	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|P<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.9350	0.336	4	116.9350	0.113	4	117.3031	3.862	22	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.1240	0.000	1	115.3330	0.087	2	117.3031	3.862	22	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){4|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.5420	0.000	1	115.3330	0.087	2	117.3031	3.862	22	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.5935	0.504	2	117.5935	0.254	2	117.3031	3.862	22	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|Br<1>,2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.7225	0.343	2	116.0788	0.174	5	117.3031	3.862	22	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.1885	0.235	2	116.0788	0.174	5	117.3031	3.862	22	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.5720	0.000	1	116.0788	0.174	5	117.3031	3.862	22	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.8515	0.326	2	116.8515	0.106	2	117.3031	3.862	22	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.8910	0.000	1	116.8910	0.000	1	117.3031	3.862	22	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.9005	0.223	2	115.9005	0.050	2	117.3031	3.862	22	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.7920	0.000	1	119.7920	0.000	1	117.3031	3.862	22	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OS)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SCOO)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OS){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(SCOO)	116.3535	2.330	2	116.3535	5.429	2	116.3535	5.429	2	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	113.9800	0.000	1	114.0293	0.005	3	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.1080	0.000	1	114.0293	0.005	3	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.0000	0.000	1	114.0293	0.005	3	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC)	C[6a,6a](C[6a,6a]C[5,6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[5,6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.9870	0.126	2	114.9870	0.016	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)(OC)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)(OC){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	118.6350	0.000	1	118.6350	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OC)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	116.4650	0.000	1	116.4650	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OC)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	113.8090	0.000	1	113.8090	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OC)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	113.4870	0.044	2	113.4870	0.002	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[5a,6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[5a,6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.3530	0.000	1	116.3530	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.4020	0.000	1	118.4020	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OC)	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OC){2|C<3>,3|O<2>}	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6a]C[6a]O)2{1|C<4>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.9480	0.191	2	117.9480	0.036	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.7800	0.000	1	114.5237	0.099	10	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.0060	0.000	1	114.5237	0.099	10	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.4550	0.287	7	114.5237	0.099	10	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.2660	0.000	1	114.5237	0.099	10	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.0980	0.000	1	114.0980	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	113.6688	0.517	9	113.6688	0.267	9	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.4020	0.000	1	114.4020	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.7398	1.010	8	117.7398	1.020	8	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.3800	0.894	4	118.3800	0.800	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	118.9990	1.220	2	118.9990	1.490	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.9775	0.284	2	117.9775	0.080	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	117.3980	0.010	2	117.3980	0.000	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	119.8720	0.000	1	119.8720	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.9040	0.074	2	117.9040	0.005	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.3610	0.000	1	115.3610	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|O<1>,2|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.8580	0.000	1	120.8580	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	118.0930	0.000	1	118.0930	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|Br<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.0610	0.000	1	121.5458	0.209	5	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|Br<1>,2|C<3>,3|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.5887	0.273	3	121.5458	0.209	5	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{2|Br<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.9020	0.000	1	121.5458	0.209	5	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.2560	0.000	1	118.2560	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	117.4120	0.000	1	116.8160	0.861	3	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	116.5180	1.090	2	116.8160	0.861	3	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.4740	0.000	1	117.8600	0.566	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.3065	0.729	6	117.8600	0.566	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.5270	0.000	1	117.8600	0.566	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.8930	0.000	1	117.8600	0.566	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.6246	0.846	5	117.8600	0.566	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.9520	0.528	2	117.8600	0.566	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.9695	0.046	2	121.6598	0.525	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.5790	0.000	1	121.6598	0.525	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.1210	0.000	1	121.6598	0.525	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	120.7940	0.000	1	120.7940	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.6167	0.629	4	122.6167	0.395	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	113.8910	0.000	1	113.8910	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	116.7150	0.465	2	116.7150	0.216	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.6820	0.000	1	120.6820	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	111.6995	0.062	2	111.6995	0.004	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	120.2750	0.000	1	120.2750	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OC){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.7290	0.000	1	119.7290	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.1210	0.000	1	123.1210	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|H<1>,2|C<3>,2|F<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.7490	0.000	1	122.7490	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]O)2{1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	115.0960	0.000	1	115.0960	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.1020	0.000	1	114.1020	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]O)2{1|Br<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.9680	0.000	1	114.9680	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.4928	2.303	4	115.4928	5.302	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.9410	0.000	1	114.6478	0.478	20	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.2920	0.153	2	114.6478	0.478	20	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.3500	0.349	6	114.6478	0.478	20	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Pt<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.2150	0.508	3	114.6478	0.478	20	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Pt<5>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.7913	0.505	4	114.6478	0.478	20	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.3350	0.331	2	114.6478	0.478	20	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.6530	0.000	1	114.6478	0.478	20	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.1990	0.000	1	114.6478	0.478	20	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.2716	0.859	10	115.2716	0.738	10	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.1230	0.000	1	115.1230	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.4260	0.959	2	114.1820	0.388	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	113.9380	0.072	2	114.1820	0.388	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.2380	0.000	1	114.5057	0.057	7	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.5877	0.154	3	114.5057	0.057	7	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.5130	0.320	3	114.5057	0.057	7	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.0890	0.000	1	116.0890	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	113.4415	0.360	2	113.4415	0.130	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.0288	0.147	4	114.0288	0.022	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	114.9590	0.000	1	114.9590	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.2835	0.440	4	115.1031	0.241	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.3358	0.320	4	115.1031	0.241	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.3130	0.000	1	115.1031	0.241	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|P<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.9250	0.000	1	115.1031	0.241	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.1520	0.000	1	115.1031	0.241	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.9020	0.087	3	115.1031	0.241	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.9250	0.000	1	115.1031	0.241	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.1510	0.000	1	115.1031	0.241	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCCH)	114.1700	0.000	1	113.7413	0.139	3	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCCH)	113.5270	0.040	2	113.7413	0.139	3	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.0480	3.701	2	114.2355	0.833	91	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.0255	0.268	2	114.2355	0.833	91	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	113.6630	0.000	1	114.2355	0.833	91	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.2780	0.014	2	114.2355	0.833	91	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.6465	0.511	2	114.2355	0.833	91	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.3868	0.718	56	114.2355	0.833	91	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	113.8789	1.018	25	114.2355	0.833	91	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	113.1400	0.000	1	114.2355	0.833	91	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	113.9580	0.000	1	113.9580	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[5a]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[5a]CH)	113.2970	0.000	1	113.2970	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	114.3498	0.466	4	114.3498	0.217	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	114.5065	0.517	2	114.5065	0.267	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.4885	0.006	2	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.5085	0.600	6	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	113.5280	0.379	2	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.5715	0.333	2	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|F<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.6270	0.000	1	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.2090	0.017	2	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.4530	0.000	1	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.8870	0.000	1	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.2240	0.000	2	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.4430	0.585	6	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.5185	0.127	2	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.6850	0.000	1	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.6310	0.000	1	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.3625	0.392	2	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.5690	0.098	2	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.8758	0.528	6	114.5433	0.251	39	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|P<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.3785	0.635	4	114.3785	0.403	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]S)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]S){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.8565	0.310	2	115.8565	0.096	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.3210	0.000	1	117.3210	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.9230	0.000	1	115.9230	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|I<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	116.8825	0.063	2	116.8825	0.004	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Br<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.1880	0.036	3	116.9300	0.261	21	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.8475	0.144	2	116.9300	0.261	21	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.7350	0.000	1	116.9300	0.261	21	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.3970	0.000	1	116.9300	0.261	21	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.4433	0.186	3	116.9300	0.261	21	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|Br<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.0180	0.000	1	116.9300	0.261	21	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.0820	0.000	1	116.9300	0.261	21	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.3863	0.236	3	116.9300	0.261	21	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.5917	0.552	6	116.9300	0.261	21	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	115.6100	0.000	1	116.2475	0.813	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	116.8850	0.000	1	116.2475	0.813	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.3300	0.000	1	115.3300	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.5025	0.752	2	114.7000	0.655	30	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.8400	0.000	1	114.7000	0.655	30	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.0693	0.421	10	114.7000	0.655	30	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.4710	0.339	2	114.7000	0.655	30	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|F<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.2846	1.208	9	114.7000	0.655	30	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|H<1>,1|S<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.6088	0.628	4	114.7000	0.655	30	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.2625	0.274	2	114.7000	0.655	30	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.8495	0.162	2	114.8495	0.026	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.6825	0.053	2	115.6825	0.003	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Br<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	117.5060	0.287	2	117.5060	0.082	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC3)	118.5560	0.000	1	118.5560	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.3600	0.000	1	115.1052	0.273	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.2760	0.000	1	115.1052	0.273	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.5410	0.444	2	115.1052	0.273	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.9820	0.658	7	115.1052	0.273	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.2182	0.199	5	115.1052	0.273	16	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.4520	0.000	1	114.7334	0.118	7	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.3170	0.000	1	114.7334	0.118	7	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.8170	0.119	2	114.7334	0.118	7	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.2690	0.000	1	114.7334	0.118	7	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.5850	0.000	1	114.7334	0.118	7	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.8770	0.000	1	114.7334	0.118	7	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CHHP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CHHP)	115.4525	0.467	4	115.4525	0.218	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.8980	0.000	1	116.0095	1.579	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)2{1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.1210	0.000	1	116.0095	1.579	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5,6a]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.3360	0.000	1	116.3360	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	117.1125	0.098	2	117.1125	0.010	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.4120	0.000	1	116.4120	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.6800	0.000	1	115.6800	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|I<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.7690	0.000	1	115.7690	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	114.4020	1.465	2	114.4020	2.147	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.0027	0.252	3	114.8536	0.124	5	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.9490	0.000	1	114.8536	0.124	5	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.3110	0.000	1	114.8536	0.124	5	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCCH)	117.6313	3.396	3	117.6313	11.530	3	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	116.0100	0.256	2	115.7053	0.241	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.4005	0.534	2	115.7053	0.241	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	116.2550	0.000	1	115.5990	0.670	5	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	115.4350	0.845	4	115.5990	0.670	5	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.5200	0.000	1	115.9373	0.089	12	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.0683	0.143	3	115.9373	0.089	12	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.9380	0.146	5	115.9373	0.089	12	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.6110	0.265	3	115.9373	0.089	12	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC){1|C<4>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|I<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.6250	0.000	1	119.6250	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.1660	0.000	1	118.1660	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.5860	0.438	2	118.5860	0.192	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.9080	0.000	1	121.9080	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.3400	2.341	2	119.3400	5.478	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.6400	0.000	1	118.2607	0.160	3	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.0710	0.324	2	118.2607	0.160	3	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.4770	0.000	1	118.4770	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.7520	0.000	1	118.7520	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.8540	0.000	1	117.8540	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.0120	0.000	1	122.6965	0.937	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.3810	0.000	1	122.6965	0.937	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.8210	0.000	1	118.8069	0.057	8	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.8506	0.297	5	118.8069	0.057	8	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.6905	0.111	2	118.8069	0.057	8	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	120.5825	0.105	2	120.5825	0.011	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|Br<1>,2|C<3>,3|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.3607	0.238	3	122.0188	0.372	5	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{2|C<3>,4|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.0050	0.000	1	122.0188	0.372	5	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{2|C<3>,4|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.0070	0.000	1	122.0188	0.372	5	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|N<2>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.8510	0.000	1	118.8510	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.7740	0.000	1	120.9540	1.345	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.1340	0.000	1	120.9540	1.345	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.4920	0.000	1	119.4920	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.4705	0.211	2	120.8210	0.584	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.1715	0.144	2	120.8210	0.584	4	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.6065	0.221	2	117.6065	0.049	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	117.1800	0.232	2	117.1800	0.054	2	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.4230	0.000	1	119.4230	0.000	1	115.8364	5.158	497	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]2Sn)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]2Sn)	115.9320	0.000	1	115.9320	0.000	1	114.5847	6.837	15	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)	111.9457	0.767	3	111.9457	0.588	3	114.5847	6.837	15	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	111.4080	0.370	3	111.4080	0.137	3	114.5847	6.837	15	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)	115.7177	0.437	4	115.7177	0.191	4	114.5847	6.837	15	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC[5]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)	117.4768	0.841	4	117.4768	0.707	4	114.5847	6.837	15	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2O)	123.7370	0.000	1	123.7370	0.000	1	116.7096	16.169	5	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	114.1795	0.120	2	114.1795	0.014	2	116.7096	16.169	5	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6])	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6]){1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)2{2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)	115.7260	0.735	2	115.7260	0.541	2	116.7096	16.169	5	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(PO3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(PO3)	116.4822	0.507	4	116.4822	0.257	4	116.4822	0.257	4	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP[6])	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(P[6]N[6]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(P[6]N[6]2O)	115.0518	1.049	12	115.0518	1.100	12	115.2245	1.201	14	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(P[6]C[6,6a]O[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(P[6]C[6,6a]O[6]O)	115.5500	0.000	1	115.5500	0.000	1	115.2245	1.201	14	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(P[6]O[6]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(P[6]O[6]2O)	116.9710	0.000	1	116.9710	0.000	1	115.2245	1.201	14	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SCOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(SCOO)	118.6560	0.000	1	118.6560	0.000	1	116.8333	2.395	11	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	115.1850	0.000	1	116.1467	0.449	4	116.8333	2.395	11	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	116.4110	0.310	2	116.1467	0.449	4	116.8333	2.395	11	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	116.5800	0.000	1	116.1467	0.449	4	116.8333	2.395	11	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	118.4050	0.000	1	118.4050	0.000	1	116.8333	2.395	11	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SCOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(SCOO)	117.7435	0.675	2	117.7435	0.456	2	116.8333	2.395	11	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	113.4160	0.000	1	113.4160	0.000	1	116.8333	2.395	11	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OS){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	117.8910	0.000	1	117.8910	0.000	1	116.8333	2.395	11	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OS)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OS){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	116.7240	0.000	1	116.7240	0.000	1	116.8333	2.395	11	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(SiC3)	117.3560	0.000	1	117.5900	0.110	2	118.8933	4.791	9	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(SiC3)	117.8240	0.000	1	117.5900	0.110	2	118.8933	4.791	9	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)2{2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(SiC3)	120.6840	0.251	4	120.6840	0.063	4	118.8933	4.791	9	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)	116.5890	3.345	2	116.5890	11.186	2	118.8933	4.791	9	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(SiC3)	118.9460	0.000	1	118.9460	0.000	1	118.8933	4.791	9	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	113.8425	0.545	2	113.8425	0.297	2	114.8900	2.957	7	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]2)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.9250	0.000	1	116.9250	0.000	1	114.8900	2.957	7	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	113.4400	0.000	1	113.9663	0.267	3	114.8900	2.957	7	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.4720	0.000	1	113.9663	0.267	3	114.8900	2.957	7	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	113.9870	0.000	1	113.9663	0.267	3	114.8900	2.957	7	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.7210	0.000	1	117.7210	0.000	1	114.8900	2.957	7	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(OC){1|C<4>,1|F<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.9850	0.000	1	121.9850	0.000	1	120.9756	1.878	13	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC){1|C<4>,1|F<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.1865	0.145	2	122.1865	0.021	2	120.9756	1.878	13	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(OC){1|F<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.9721	0.679	7	119.9721	0.461	7	120.9756	1.878	13	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(OC){1|F<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.4530	0.000	1	120.4530	0.000	1	120.9756	1.878	13	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O){1|O<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.0335	0.063	2	123.0335	0.004	2	120.9756	1.878	13	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.5730	0.083	2	115.5730	0.007	2	115.2040	5.970	7	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a]C[6,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[6a]C[6,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.9880	0.434	2	115.9880	0.188	2	115.2040	5.970	7	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a]C[6a,6a]Ge)(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Ge<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a]C[6a,6a]Ge)(C[6a,6a]C[6a]2)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	112.1135	0.059	2	112.1135	0.003	2	115.2040	5.970	7	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a,6a](C[6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.0790	0.000	1	119.0790	0.000	1	115.2040	5.970	7	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[6])(OC)	C[6a,6a](N[6a]C[5a,6a]C[3])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[6])(OC){1|C<4>,1|F<1>,5|C<3>}	C[6a,6a](N[6a]C[5a,6a]C[3])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.5000	0.000	1	120.5000	0.000	1	120.5000	0.000	1	116.5483	6.136	874	117.3712	7.067	1945	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	2:3:1:	3:3:	N[6a]-2:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a]){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	114.4770	0.000	1	114.4770	0.000	1	114.2811	0.397	15	114.2811	0.397	15	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	2:3:1:	3:3:	N[6a]-2:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a]){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	114.2671	0.651	14	114.2671	0.424	14	114.2811	0.397	15	114.2811	0.397	15	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	2:3:2:	3:2:	N[6a]-2:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(OC)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]N[6a])(CC)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(OC){1|C<2>,1|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(OC){1|C<2>,1|C<3>}	O(C[6a]C[6a]N[6a])(CC)	115.8340	0.000	1	115.8340	0.000	1	115.8340	0.000	1	115.8340	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	2:3:2:	3:3:	N[6a]-2:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC[6a]){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC[6a]){2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.5168	0.476	8	117.5168	0.227	8	117.5168	0.227	8	117.5168	0.227	8	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	2:3:2:	3:4:	N[6a]-2:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CN){2|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	115.7447	1.126	3	115.7447	1.267	3	115.7447	1.267	3	114.8531	1.244	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	2:3:2:	3:4:	N[6a]-2:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)(OC)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)(OC){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)(OC){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])(CCHH)	114.1107	0.589	3	114.1107	0.347	3	114.1845	0.253	4	114.8531	1.244	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	2:3:2:	3:4:	N[6a]-2:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<3>,1|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])(CH3)	114.4060	0.000	1	114.4060	0.000	1	114.1845	0.253	4	114.8531	1.244	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	2:3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCH)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCH){2|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	114.7630	0.000	1	114.7630	0.000	1	114.7630	0.000	1	114.7630	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	2:3:4:	3:1:	N[6a]-2:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OH){1|C<3>,1|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){2|C<3>}	O(C[6a]C[6a]N[6a])(H)	117.4820	0.000	1	117.4820	0.000	1	117.4820	0.000	1	117.4820	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	2:3:4:	3:4:	N[6a]-2:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CF3)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CF3){2|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	115.6140	0.000	1	115.6140	0.000	1	114.8365	1.209	2	114.8365	1.209	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	2:3:4:	3:4:	N[6a]-2:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){2|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	114.0590	0.000	1	114.0590	0.000	1	114.8365	1.209	2	114.8365	1.209	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){4|C<3>}	O(C[6a]C[6a]N[6a])(COO)	117.3500	0.000	1	117.3500	0.000	1	117.3500	0.000	1	115.7019	12.599	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.2090	0.000	1	116.2090	0.000	1	114.8007	2.016	14	115.7019	12.599	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])2	116.2730	2.530	2	116.2730	6.401	2	114.8007	2.016	14	115.7019	12.599	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	114.2785	1.055	10	114.4050	1.177	11	114.8007	2.016	14	115.7019	12.599	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.6700	0.000	1	114.4050	1.177	11	114.8007	2.016	14	115.7019	12.599	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(PCC)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(PCC)	114.0750	0.000	1	114.0750	0.000	1	114.0750	0.000	1	115.7019	12.599	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:3:	O[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(H)	O(C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(H){2|C<3>}	O(C[6a]C[6a]O[6a])(C[6a]C[6a]2)	128.2970	0.000	1	128.2970	0.000	1	128.2970	0.000	1	115.7019	12.599	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CH3)	115.8580	0.000	1	116.5463	0.390	4	116.7378	9.230	36	116.3335	10.000	40	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CH3)	116.7757	0.519	3	116.5463	0.390	4	116.7378	9.230	36	116.3335	10.000	40	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|N<3>}	O(C[6a]C[6a]N[6a])(CCHH)	120.5953	4.859	6	120.5953	23.611	6	116.7378	9.230	36	116.3335	10.000	40	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC){1|O<1>,2|N<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.1770	0.000	1	117.1770	0.000	1	116.7378	9.230	36	116.3335	10.000	40	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	116.2685	0.066	2	116.2685	0.004	2	116.7378	9.230	36	116.3335	10.000	40	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CH3)	117.4801	3.023	7	116.7546	7.911	10	116.7378	9.230	36	116.3335	10.000	40	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.7080	0.000	1	116.7546	7.911	10	116.7378	9.230	36	116.3335	10.000	40	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|N<3>}	O(C[6a]C[6a]N[6a])(CH3)	114.2385	0.131	2	116.7546	7.911	10	116.7378	9.230	36	116.3335	10.000	40	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	114.5550	0.610	4	114.5550	0.372	4	116.7378	9.230	36	116.3335	10.000	40	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	114.9627	0.844	3	114.9627	0.712	3	116.7378	9.230	36	116.3335	10.000	40	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	115.4062	0.414	6	115.4062	0.171	6	116.7378	9.230	36	116.3335	10.000	40	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	114.0755	0.040	2	114.0755	0.002	2	114.0755	0.002	2	116.3335	10.000	40	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:C[6a]-3:O-2:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){2|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	111.3130	0.682	2	111.3130	0.465	2	111.3130	0.465	2	116.3335	10.000	40	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:2:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]C[5a])(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){3|C<3>}	C[6a](C[6a]C[6,6a]C[5a])(C[6a]N[6a]O)(CN){1|C<4>,1|S<2>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	115.7440	0.000	1	115.7440	0.000	1	116.4645	0.567	10	116.3487	0.658	11	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:2:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN){4|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	114.8240	0.000	1	114.8240	0.000	1	116.4645	0.567	10	116.3487	0.658	11	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:2:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN){1|C<4>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.7596	0.413	8	116.7596	0.171	8	116.4645	0.567	10	116.3487	0.658	11	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:2:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(OC){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	115.1910	0.000	1	115.1910	0.000	1	115.1910	0.000	1	116.3487	0.658	11	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:3:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHO)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHO){2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	114.5420	0.000	1	114.5420	0.000	1	114.5420	0.000	1	114.5420	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO){4|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	113.9250	0.396	3	113.9250	0.157	3	114.5941	0.634	8	114.5941	0.634	8	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO){2|C<3>,2|N<2>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	114.3420	0.000	1	114.3420	0.000	1	114.5941	0.634	8	114.5941	0.634	8	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH){2|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	115.8670	0.000	1	115.8670	0.000	1	114.5941	0.634	8	114.5941	0.634	8	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	115.0950	0.771	2	115.0950	0.594	2	114.5941	0.634	8	114.5941	0.634	8	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHO)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHO){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	114.5790	0.000	1	114.5790	0.000	1	114.5941	0.634	8	114.5941	0.634	8	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:4:	3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(OH){1|O<1>,2|N<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(H)	118.9575	0.589	2	118.9575	0.347	2	118.9575	0.347	2	118.9575	0.347	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:4:	3:3:	O[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCCO)	O(C[6a]C[6a]O[6a])(CCH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCCO){2|C<3>}	O(C[6a]C[6a]O[6a])(CCH)	131.8810	0.000	1	131.8810	0.000	1	131.8810	0.000	1	131.8810	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:4:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]O)(CC3)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]O)(CC3){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.4235	0.114	2	117.4235	0.013	2	115.2299	1.274	13	115.2299	1.274	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:4:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]CH)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]CH){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	114.8664	0.685	8	114.8664	0.469	8	115.2299	1.274	13	115.2299	1.274	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:4:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HH){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	115.1780	0.000	1	115.1780	0.000	1	115.2299	1.274	13	115.2299	1.274	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:3:4:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HN)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HN){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	114.5165	0.542	2	114.5165	0.294	2	115.2299	1.274	13	115.2299	1.274	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:2:	3:4:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(CC[6a]C[6]H)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(CC[6a]C[6]H)(C[6a]N[6a]O){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.3470	3.681	2	118.3470	13.551	2	118.3470	13.551	2	118.3470	13.551	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:3:	3:3:1:	6:3:	O-2:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:C[6a]-3:	C[6a](OB[5x3,4x5,17x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]2)	C[6a](OB[5x3,4x5,17x6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]2)	119.8748	0.237	4	119.8748	0.056	4	119.4756	5.466	8	119.4234	3.002	39	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:3:	3:3:1:	6:3:	O-2:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:C[6a]-3:	C[6a](OB[5x3,4x5,17x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]O)2(H)	O(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]2)	C[6a](OB[5x3,4x5,17x6])(C[6a]C[6a]H)2{1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]2)	119.0765	3.503	4	119.0765	12.273	4	119.4756	5.466	8	119.4234	3.002	39	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:3:	3:3:1:	6:3:	O-2:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)	119.1685	0.201	8	119.1685	0.040	8	119.4407	2.583	30	119.4234	3.002	39	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:3:	3:3:1:	6:3:	O-2:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	119.3398	0.550	12	119.3398	0.303	12	119.4407	2.583	30	119.4234	3.002	39	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:3:	3:3:1:	6:3:	O-2:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)	119.3900	0.387	4	119.3900	0.150	4	119.4407	2.583	30	119.4234	3.002	39	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:3:	3:3:1:	6:3:	O-2:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	120.2830	5.483	2	120.0393	13.596	6	119.4407	2.583	30	119.4234	3.002	39	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:3:	3:3:1:	6:3:	O-2:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	119.9175	3.547	4	120.0393	13.596	6	119.4407	2.583	30	119.4234	3.002	39	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:3:	3:3:1:	6:3:	O-2:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](OC[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](OC[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	119.4234	3.002	39	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	2:3:3:	3:3:3:	6:3:	O-2:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](OC[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](OC[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	118.6410	0.000	1	118.6410	0.000	1	118.6410	0.000	1	118.6410	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	2:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(OC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(OC){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	116.0230	0.844	2	116.0230	0.713	2	116.0230	0.713	2	116.0230	0.713	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:1:	3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(ON)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])(NC)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(ON){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(NC)	124.6180	0.419	2	124.6180	0.175	2	124.6180	0.175	2	124.6180	0.175	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(Cl)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.6608	0.191	5	117.6608	0.036	5	117.6608	0.036	5	117.5763	2.167	90	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	116.3897	0.554	3	116.5940	0.236	5	116.5940	0.236	5	117.5763	2.167	90	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6]){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	116.9005	0.124	2	116.5940	0.236	5	116.5940	0.236	5	117.5763	2.167	90	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.3490	0.144	4	117.6324	2.363	80	117.6324	2.363	80	117.5763	2.167	90	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.8254	1.565	69	117.6324	2.363	80	117.6324	2.363	80	117.5763	2.167	90	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.4639	0.484	7	117.6324	2.363	80	117.6324	2.363	80	117.5763	2.167	90	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	118.4057	0.901	9	118.4057	0.811	9	118.2476	0.971	10	118.2476	0.971	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC){2|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	116.8250	0.000	1	116.8250	0.000	1	118.2476	0.971	10	118.2476	0.971	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:2:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6]-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	116.8340	0.000	1	116.8340	0.000	1	116.8340	0.000	1	118.5650	7.810	3	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:2:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6]){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.0720	0.000	1	117.0720	0.000	1	119.4305	11.125	2	118.5650	7.810	3	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:2:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	121.7890	0.000	1	121.7890	0.000	1	119.4305	11.125	2	118.5650	7.810	3	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS){1|Cl<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	115.7620	0.000	1	115.7620	0.000	1	115.4030	0.258	2	116.5978	1.690	5	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	115.0440	0.000	1	115.0440	0.000	1	115.4030	0.258	2	116.5978	1.690	5	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC){1|C<2>,1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.3160	0.000	1	116.3160	0.000	1	116.3160	0.000	1	116.5978	1.690	5	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:Si-4:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OSi)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OSi)	O(C[6a]C[6a]N[6a])(SiC3)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OSi){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OSi){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(SiC3)	117.9335	0.039	2	117.9335	0.002	2	117.9335	0.002	2	116.5978	1.690	5	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(OC[6a])	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(OC[6a]){4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O){1|N<3>,5|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.9630	0.000	1	119.9630	0.000	1	119.9630	0.000	1	118.2435	5.913	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.5240	0.000	1	116.5240	0.000	1	116.5240	0.000	1	118.2435	5.913	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[3]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[3]O){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	118.4195	0.627	2	118.4195	0.393	2	118.4195	0.393	2	115.6073	2.100	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCC)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	115.8020	0.000	1	115.8020	0.000	1	115.0960	0.612	11	115.6073	2.100	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	115.1190	0.000	1	115.1190	0.000	1	115.0960	0.612	11	115.6073	2.100	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	114.7375	0.230	2	114.7375	0.053	2	115.0960	0.612	11	115.6073	2.100	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	113.5220	0.000	1	113.5220	0.000	1	115.0960	0.612	11	115.6073	2.100	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	114.5130	0.000	1	114.5130	0.000	1	115.0960	0.612	11	115.6073	2.100	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	115.4800	0.000	1	115.4800	0.000	1	115.0960	0.612	11	115.6073	2.100	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	115.1350	0.000	1	115.8560	1.040	2	115.0960	0.612	11	115.6073	2.100	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|Cl<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	116.5770	0.000	1	115.8560	1.040	2	115.0960	0.612	11	115.6073	2.100	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	114.9700	0.000	1	115.2165	0.122	2	115.0960	0.612	11	115.6073	2.100	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:2:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	115.4630	0.000	1	115.2165	0.122	2	115.0960	0.612	11	115.6073	2.100	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(H)	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	119.5481	3.292	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(H)	119.4060	0.000	2	119.6988	1.533	9	119.6498	3.350	15	119.5481	3.292	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(H)	122.4650	0.000	1	119.6988	1.533	9	119.6498	3.350	15	119.5481	3.292	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|O<2>}	O(C[6a]C[6a]N[6a])(H)	119.3353	0.854	6	119.6988	1.533	9	119.6498	3.350	15	119.5481	3.292	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]O)(H){1|Fe<10>,1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])(H)	118.4650	0.000	1	118.4650	0.000	1	119.6498	3.350	15	119.5481	3.292	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(H)	117.8930	0.000	1	117.8930	0.000	1	119.6498	3.350	15	119.5481	3.292	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	C[6a](C[6a]N[6a]O)2(H)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|N<2>,1|O<2>,1|S<2>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	O(C[6a]C[6a]N[6a])(H)	122.9360	0.373	2	122.9360	0.139	2	119.6498	3.350	15	119.5481	3.292	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|N<3>,1|O<1>}	O(C[6a]C[6a]N[6a])(H)	117.3960	0.000	1	117.6140	0.095	2	119.6498	3.350	15	119.5481	3.292	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|N<3>,1|O<1>}	O(C[6a]C[6a]N[6a])(H)	117.8320	0.000	1	117.6140	0.095	2	119.6498	3.350	15	119.5481	3.292	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(ON)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(ON){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(NC)	125.2475	0.136	2	125.2475	0.019	2	125.2475	0.019	2	125.2475	0.019	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.3803	0.560	4	117.2518	0.231	6	117.2518	0.231	6	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.0810	0.000	1	117.2518	0.231	6	117.2518	0.231	6	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.9090	0.000	1	117.2518	0.231	6	117.2518	0.231	6	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(F)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(F){1|Cl<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.2475	1.387	2	117.2475	1.923	2	117.2475	1.923	2	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:As-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OAs)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(AsC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OAs){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(AsC[6a]O)	119.1490	0.454	2	119.1490	0.206	2	119.1490	0.206	2	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(COO)	119.2930	1.548	3	119.2930	2.395	3	119.2930	2.395	3	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.5380	0.092	2	115.5380	0.008	2	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	115.6330	0.000	1	115.6330	0.000	1	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.1660	0.000	1	116.0382	0.198	14	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.8964	0.390	8	116.0382	0.198	14	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|N<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.1757	0.591	4	116.0382	0.198	14	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.4950	0.000	1	116.0382	0.198	14	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])2	116.9710	0.000	1	116.9710	0.000	1	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){3|C<3>}	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	116.8411	1.923	16	116.8411	3.697	16	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	116.0800	0.041	2	116.0800	0.002	2	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.2530	0.000	1	117.2530	0.000	1	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.8454	3.975	5	119.8454	15.803	5	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	117.0830	0.000	1	117.0830	0.000	1	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.8383	0.120	3	116.8383	0.014	3	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)2(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.6232	3.680	10	120.4096	12.897	18	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)2(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|N<2>,1|O<2>,1|S<2>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.1425	3.710	8	120.4096	12.897	18	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|N<2>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.8970	0.571	2	116.8970	0.326	2	117.8042	8.758	66	117.8387	7.564	79	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCCH)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H){1|N<3>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCCH)	115.6005	0.030	2	115.6005	0.001	2	118.9140	32.938	3	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H){3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	125.5410	0.000	1	125.5410	0.000	1	118.9140	32.938	3	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.3500	0.000	1	116.3500	0.000	1	116.3500	0.000	1	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.6220	0.000	1	117.6030	1.925	2	117.6030	1.925	2	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){4|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.5840	0.000	1	117.6030	1.925	2	117.6030	1.925	2	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(Br)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(Br){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	118.2570	0.689	2	118.2570	0.474	2	118.3700	0.381	6	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)2(Br)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]O)2(Br){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.4265	0.681	4	118.4265	0.464	4	118.3700	0.381	6	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	117.4850	0.594	2	117.4850	0.353	2	117.7199	0.321	7	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	116.9560	0.000	1	116.9560	0.000	1	117.7199	0.321	7	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)2(Cl)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]O)2(Cl){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.0282	0.407	4	118.0282	0.166	4	117.7199	0.321	7	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	O(C[6a]C[6a]N[6a])(POOS)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(POOS)	118.8390	0.000	1	118.8390	0.000	1	118.8390	0.000	1	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(F)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(F){1|C<3>,1|F<1>}	O(C[6a]C[6a]N[6a])(CCHH)	116.9867	0.724	6	116.9867	0.525	6	116.9867	0.525	6	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OB)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(BN[6]OO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(BN[6]OO)	116.7617	0.396	3	116.7617	0.157	3	116.7617	0.157	3	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]O)(H){3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.9860	0.000	1	116.9860	0.000	1	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	115.8050	0.132	2	115.8050	0.017	2	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CCHH)	117.2780	0.000	1	117.2780	0.000	1	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CH3)	117.3020	0.000	1	117.3020	0.000	1	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CC3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Sn<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC3)	114.8040	0.000	1	114.8040	0.000	1	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CCCH)	116.3320	0.000	1	116.4113	1.090	3	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCCH)	116.4510	1.474	2	116.4113	1.090	3	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	116.1450	0.000	1	116.4260	0.172	3	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	116.5665	0.474	2	116.4260	0.172	3	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CC[6a]CH)	115.9350	0.000	1	115.8512	1.222	5	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]CH)	115.8303	1.275	4	115.8512	1.222	5	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.7520	0.000	1	116.9207	2.867	44	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CH3)	117.0613	0.379	4	116.9207	2.867	44	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	116.6203	0.009	3	116.9207	2.867	44	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	116.5960	0.000	1	116.9207	2.867	44	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.0902	0.323	4	116.9207	2.867	44	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CH3)	116.4410	0.000	1	116.9207	2.867	44	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|N<3>}	O(C[6a]C[6a]N[6a])(CH3)	115.7435	0.573	2	116.9207	2.867	44	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|N<4>}	O(C[6a]C[6a]N[6a])(CH3)	123.6010	0.000	1	116.9207	2.867	44	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Si<4>,1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.5125	0.494	4	116.9207	2.867	44	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.0806	2.541	10	116.9207	2.867	44	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CH3)	117.0450	0.106	2	116.9207	2.867	44	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	116.2018	0.558	11	116.9207	2.867	44	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.0190	0.000	1	117.2480	0.354	11	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.3709	0.457	10	117.2480	0.354	11	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.0785	1.005	2	117.3675	1.154	6	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.0120	1.040	4	117.3675	1.154	6	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	116.7850	0.000	1	116.7850	0.000	1	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	117.8280	0.000	1	117.8280	0.000	1	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O)(H){3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.4470	0.000	1	116.4470	0.000	1	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.9310	2.234	5	117.9357	3.993	6	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.9590	0.000	1	117.9357	3.993	6	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	117.1120	0.310	2	117.1120	0.096	2	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	117.7960	0.000	1	117.2580	0.579	2	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	116.7200	0.000	1	117.2580	0.579	2	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	121.8135	5.912	2	121.8135	34.953	2	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	116.3410	0.000	1	116.3835	0.004	2	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|S<2>,2|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	116.4260	0.000	1	116.3835	0.004	2	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.3175	0.957	2	117.2013	0.680	4	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.0850	1.035	2	117.2013	0.680	4	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	115.8505	0.156	2	115.8505	0.024	2	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)2(H)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	120.3305	4.819	4	119.0667	17.862	6	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)2(H)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|O<1>,2|N<3>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	116.5390	0.682	2	119.0667	17.862	6	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)2(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.5070	0.294	4	119.1597	12.173	128	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)2(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.5103	3.859	88	119.1597	12.173	128	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)2(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<2>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.4250	4.245	8	119.1597	12.173	128	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)2(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<4>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.7210	0.289	4	119.1597	12.173	128	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)2(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.3011	1.809	24	119.1597	12.173	128	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|N<3>,1|O<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	115.9780	0.000	1	115.9523	0.001	3	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|N<2>,1|O<2>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	115.9500	0.000	1	115.9523	0.001	3	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|N<3>,1|O<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	115.9290	0.000	1	115.9523	0.001	3	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<4>,1|N<2>}	O(C[6a]C[6a]N[6a])(CH3)	116.5995	0.075	4	116.5655	0.030	6	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|N<2>,1|O<2>}	O(C[6a]C[6a]N[6a])(CH3)	116.4975	0.349	2	116.5655	0.030	6	118.1664	9.065	244	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(PC[6a]3)	116.8300	0.000	1	116.8300	0.000	1	119.4290	13.510	2	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(PNiCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(PNiCC)	122.0280	0.000	1	122.0280	0.000	1	119.4290	13.510	2	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(P[6]N[6]2O)	117.9395	0.059	2	117.9395	0.003	2	117.7207	3.602	7	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(P[6]N[6]2O)	116.7285	1.304	4	116.7285	1.701	4	117.7207	3.602	7	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(P[6]O[6]2S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<4>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>}	O(C[6a]C[6a]N[6a])(P[6]O[6]2S)	121.2520	0.000	1	121.2520	0.000	1	117.7207	3.602	7	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	3:4:	C[6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Cl)(O[6a]C[6a])(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(Cl)	O(C[6a]C[6a]O[6a])(CH3)	C[6a](C[6a]C[6a,6a]Cl)(O[6a]C[6a])(OC){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(Cl){1|H<1>,3|C<3>}	O(C[6a]C[6a]O[6a])(CH3)	123.5210	0.000	1	123.5210	0.000	1	123.5210	0.000	1	118.1365	8.395	283	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:1:	4:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[5,6])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[5,6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]N[6a])	116.5323	0.448	6	116.5323	0.200	6	116.5323	0.200	6	116.5323	0.200	6	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OH)	C[6a](C[6a]N[6a]O)2(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]O)2(OC[6a]){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(H)	121.7825	2.949	2	121.7825	8.699	2	121.7825	8.699	2	121.7825	8.699	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	114.7670	0.000	1	114.7670	0.000	1	114.7670	0.000	1	116.6021	1.724	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]O)	118.2310	0.000	1	118.2310	0.000	1	118.2310	0.000	1	116.6021	1.724	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN){1|C<2>,1|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.7579	0.554	10	116.7579	0.307	10	116.6009	0.548	11	116.6021	1.724	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CN){2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.0310	0.000	1	115.0310	0.000	1	116.6009	0.548	11	116.6021	1.724	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.1330	0.000	1	115.1330	0.000	1	116.6750	7.175	3	116.6021	1.724	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])2	117.4460	3.284	2	117.4460	10.783	2	116.6750	7.175	3	116.6021	1.724	16	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<4>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	116.6990	0.000	1	115.9526	0.291	8	115.9725	0.230	24	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	115.8460	0.483	7	115.9526	0.291	8	115.9725	0.230	24	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<4>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.3395	0.260	2	116.0262	0.207	9	115.9725	0.230	24	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	115.9650	0.000	1	116.0262	0.207	9	115.9725	0.230	24	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	115.9320	0.517	6	116.0262	0.207	9	115.9725	0.230	24	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	115.2940	0.000	1	115.6756	0.113	5	115.9725	0.230	24	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	115.7710	0.300	4	115.6756	0.113	5	115.9725	0.230	24	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	116.5820	0.000	1	116.5820	0.000	1	115.9725	0.230	24	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CN)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CN){1|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	116.5220	0.000	1	116.5220	0.000	1	115.9725	0.230	24	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5])	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|Cl<1>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.2520	0.000	1	116.2520	0.000	1	116.4564	0.658	35	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	115.9140	0.086	2	115.9140	0.007	2	116.4564	0.658	35	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	116.7700	0.000	1	116.1406	0.484	16	116.4564	0.658	35	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	116.8630	0.700	2	116.1406	0.484	16	116.4564	0.658	35	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	115.9811	0.645	13	116.1406	0.484	16	116.4564	0.658	35	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.2607	0.308	3	116.2607	0.095	3	116.4564	0.658	35	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(NO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(NO){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	116.1780	0.000	1	116.1780	0.000	1	116.4564	0.658	35	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)2(NO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]O)2(NO){1|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	117.2327	0.886	4	117.2327	0.784	4	116.4564	0.658	35	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)2(NO)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]O)2(NO){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.9691	0.898	8	116.9691	0.806	8	116.4564	0.658	35	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CH3)	116.5310	0.000	1	116.5310	0.000	1	116.4297	0.116	4	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.6300	0.083	2	116.6300	0.007	2	116.4297	0.116	4	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(OC[6a])	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(OC[6a]){1|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	115.9280	0.000	1	115.9280	0.000	1	116.4297	0.116	4	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6])	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6])	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6]){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6]){1|C<3>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	116.2370	0.000	1	116.2370	0.000	1	116.2370	0.000	1	116.2698	0.499	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(OH){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6a]N[6a])(H)	119.8200	0.000	1	119.8200	0.000	1	119.8200	0.000	1	123.6213	10.868	3	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:1:	C[6a]-3:O[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(OH)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(COO)	O(C[6a]C[6a]O[6a])(H)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(OH){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(COO){1|C<3>,1|H<1>}	O(C[6a]C[6a]O[6a])(H)	125.5220	0.246	2	125.5220	0.061	2	125.5220	0.061	2	123.6213	10.868	3	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	118.9810	0.000	1	118.9810	0.000	1	118.3894	1.436	9	118.7000	1.383	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.4777	1.273	3	118.4777	1.621	3	118.3894	1.436	9	118.7000	1.383	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[6]N)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[6]N){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.8058	0.523	4	118.8058	0.274	4	118.3894	1.436	9	118.7000	1.383	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CNO)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.8680	0.000	1	115.8680	0.000	1	118.3894	1.436	9	118.7000	1.383	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	O(C[6a]C[6a]N[6a])(CCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|N<3>}	O(C[6a]C[6a]N[6a])(CCC)	119.3820	0.000	1	119.3820	0.000	1	119.3820	0.000	1	118.7000	1.383	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.4043	1.070	3	119.4043	1.144	3	119.4043	1.144	3	118.7000	1.383	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(OC){1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO){1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	115.6660	1.035	2	115.6660	1.072	2	115.6660	1.072	2	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(OC)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CC[5a]HH)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])(CC[5a]HH)	116.7620	0.000	1	116.7620	0.000	1	116.7620	0.000	1	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CC3)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CC3)	117.4170	0.000	1	117.4170	0.000	1	118.6518	0.649	14	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.5442	0.589	10	118.5442	0.347	10	118.6518	0.649	14	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	C[6a](C[6]C[6]N[6])(C[6a]N[6a]Ir)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6]C[6]N[6])(C[6a]N[6a]Ir)(C[6a]N[6a]O){1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.4220	0.975	3	119.4220	0.950	3	118.6518	0.649	14	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC)	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]N[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	115.7420	0.000	1	115.7420	0.000	1	115.3000	0.391	2	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC)	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]N[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	114.8580	0.000	1	114.8580	0.000	1	115.3000	0.391	2	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(OC)	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]O){2|N<3>,4|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	115.0290	0.000	1	115.0290	0.000	1	115.0290	0.000	1	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(BOO)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(BOO){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	116.4185	0.025	2	116.4185	0.001	2	116.4185	0.001	2	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B[5])(N[6a]N[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(B[5]O[5]2)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]B[5])(N[6a]N[6a])(OC){1|C<3>,1|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(B[5]O[5]2){1|C<3>,1|N<2>,2|C<4>}	O(C[6a]C[6a]N[6a])(CH3)	117.1120	0.000	1	117.1120	0.000	1	117.1120	0.000	1	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(COO)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	117.1955	1.278	2	117.1955	1.633	2	117.1053	0.512	16	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	O(C[6a]C[6a]N[6a])(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCCH)	117.3080	0.000	1	117.3080	0.000	1	117.1053	0.512	16	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	117.0320	0.000	1	117.0320	0.000	1	117.1053	0.512	16	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	117.7630	0.000	1	117.9300	0.092	3	117.1053	0.512	16	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	118.0135	0.378	2	117.9300	0.092	3	117.1053	0.512	16	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC[6a]C[6])	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC[6a]C[6]){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.0700	0.000	1	117.0700	0.000	1	117.1053	0.512	16	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH){1|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	115.8510	0.000	1	115.8510	0.000	1	117.1053	0.512	16	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	117.6130	0.000	1	117.6130	0.000	1	117.1053	0.512	16	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	117.0030	0.000	1	116.9983	0.383	3	117.1053	0.512	16	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	116.9960	0.875	2	116.9983	0.383	3	117.1053	0.512	16	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	116.3000	0.000	1	116.3000	0.000	1	117.1053	0.512	16	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)(CHO)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)(CHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.6675	0.306	2	116.6675	0.094	2	117.1053	0.512	16	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[5])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(COO)	O(C[6a]C[6a]N[6a])(C[5]C[5]2H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[5]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(COO){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(C[5]C[5]2H)	117.3150	0.000	1	117.3150	0.000	1	117.3150	0.000	1	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]P)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|O<2>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]P)(C[6a]N[6a]O){1|H<1>,1|N<2>,1|O<2>,1|P<4>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.3535	0.239	4	117.3535	0.057	4	117.8238	0.671	17	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	117.3490	0.000	1	117.3490	0.000	1	117.8238	0.671	17	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.2220	0.256	4	117.2220	0.065	4	117.8238	0.671	17	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.1585	0.367	4	118.6050	0.827	6	117.8238	0.671	17	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.4980	0.231	2	118.6050	0.827	6	117.8238	0.671	17	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,3|N<2>}	O(C[6a]C[6a]N[6a])(CH3)	117.7930	0.000	1	117.7930	0.000	1	117.8238	0.671	17	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.9300	0.000	1	117.9300	0.000	1	117.8238	0.671	17	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	115.0660	0.119	2	115.0660	0.014	2	116.9979	4.649	15	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	114.7500	0.000	1	114.7500	0.000	1	116.9979	4.649	15	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|N<3>}	O(C[6a]C[6a]N[6a])(CCHH)	119.9790	0.000	1	119.9790	0.000	1	116.9979	4.649	15	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	118.6900	0.000	1	118.6900	0.000	1	116.9979	4.649	15	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH){3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	115.5983	0.984	4	115.5983	0.968	4	116.9979	4.649	15	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NHH)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NHH){3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	114.8690	0.000	1	114.8690	0.000	1	116.9979	4.649	15	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|Cl<1>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.8100	0.000	1	116.8100	0.000	1	116.9979	4.649	15	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	120.2625	0.127	2	120.2625	0.016	2	116.9979	4.649	15	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)2(NOO)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]O)2(NOO){1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.4100	0.421	2	118.4100	0.178	2	116.9979	4.649	15	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	O(C[6a]C[6a]N[6a])(SCOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(SCOO)	115.7630	0.000	2	115.7630	0.000	2	115.7630	0.000	2	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5a])(O[6a]C[6a])(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]O[6a]O)	O(C[6a]C[6a]O[6a])(CH3)	C[6a](C[6a]C[6a,6a]C[5a])(O[6a]C[6a])(OC){1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	O(C[6a]C[6a]O[6a])(CH3)	123.0780	0.000	1	123.0780	0.000	1	123.0780	0.000	1	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CC[6a]C)	O(C[6a]C[6a]O[6a])(CH3)	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(OC){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CC[6a]C){1|H<1>,3|C<3>}	O(C[6a]C[6a]O[6a])(CH3)	122.6600	0.140	2	122.6600	0.020	2	122.6600	0.020	2	117.5804	3.099	77	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:4:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OH)	C[6a](C[6a]N[6a]O)2(CC[6a]CH)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]O)2(CC[6a]CH){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(H)	120.5687	0.848	3	120.5687	0.719	3	120.5687	0.719	3	120.5687	0.719	3	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:4:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>}	O(C[6a]C[6a]N[6a])(CNO)	119.1640	0.000	1	119.1640	0.000	1	119.1640	0.000	1	119.1640	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:4:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	117.4267	7.490	9	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:4:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	115.7740	0.000	1	115.7740	0.000	1	116.5375	1.166	2	117.4267	7.490	9	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:4:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)2(CC[6a]HH)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	117.3010	0.000	1	117.3010	0.000	1	116.5375	1.166	2	117.4267	7.490	9	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:4:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OSi)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])(SiC3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OSi){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(SiC3)	116.5020	0.239	2	116.5020	0.057	2	116.5020	0.057	2	117.4267	7.490	9	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:4:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(SiC3)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(SiC3){1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	115.2870	0.013	2	115.2870	0.000	2	115.2870	0.000	2	117.4267	7.490	9	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:3:4:	3:4:	C[6a]-3:O[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CH3)	O(C[6a]C[6a]O[6a])(CH3)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(OC){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CH3){1|C<3>,1|C<4>}	O(C[6a]C[6a]O[6a])(CH3)	122.1195	0.146	2	122.1195	0.021	2	122.1195	0.021	2	117.4267	7.490	9	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:4:2:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(C[6]C[6]2H)(N[6a]C[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]O)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.7580	1.022	2	115.7580	1.045	2	115.7580	1.045	2	115.7580	1.045	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	3:4:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]N[6a]O){1|N<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:2:2:	4:3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	113.6905	0.508	4	113.6905	0.258	4	113.6905	0.258	4	113.6905	0.258	4	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]O[6a]O)(OH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]O[6a]O)(OH){1|H<1>,2|C<3>,2|C<4>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]O)(O){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	114.3380	0.000	1	114.3380	0.000	1	114.3380	0.000	1	114.3380	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]O)(O){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	115.2170	0.000	1	115.2170	0.000	1	115.3362	0.477	5	115.4330	0.348	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]O)(O){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	115.3660	0.794	4	115.3660	0.630	4	115.3362	0.477	5	115.4330	0.348	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC[6a])	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC[6a]){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]O)(O){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	115.6750	0.119	2	115.6750	0.014	2	115.6750	0.014	2	115.4330	0.348	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]H)(OC)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]H)(OC){1|C<3>,1|C<4>}	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.7395	0.418	2	124.7395	0.175	2	121.6900	27.986	3	121.6900	27.986	3	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(OC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(OC){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.5910	0.000	1	115.5910	0.000	1	121.6900	27.986	3	121.6900	27.986	3	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(OC)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(OC){2|C<3>}	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4920	0.000	1	114.4920	0.000	1	114.4920	0.000	1	114.4920	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(OH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(OH){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	117.2800	0.000	1	117.2800	0.000	1	117.2800	0.000	1	120.8253	0.985	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	O[6a]-2:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]O)(C[6a]O[6a]C)(OH)	C[6a](O[6a]C[5,6a])(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]O[6a]C)(OH){2|C<3>}	C[6a](O[6a]C[5,6a])(C[6a]C[6a]O)(CCH){1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.0595	0.575	2	119.0595	0.330	2	119.0595	0.330	2	120.8253	0.985	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	O[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6,6a]O)(OH)	C[6a](O[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6,6a]O)(OH){4|C<3>}	C[6a](O[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	121.4070	0.000	1	121.4070	0.000	1	120.9844	0.598	60	120.8253	0.985	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	O[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.6865	0.135	2	120.9772	0.605	59	120.9844	0.598	60	120.8253	0.985	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	O[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.7130	0.000	1	120.9772	0.605	59	120.9844	0.598	60	120.8253	0.985	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	O[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	121.0637	0.690	56	120.9772	0.605	59	120.9844	0.598	60	120.8253	0.985	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	S[6a]-2:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]C)(OH)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]C)(OH){2|C<3>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]O)(CC[6a]O){1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.3570	0.000	1	118.3570	0.000	1	118.3570	0.000	1	120.8253	0.985	64	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	O[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCO)	119.6530	0.000	1	119.6530	0.000	1	119.6530	0.000	1	119.6530	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(OP)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(OP){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(PNNO)	118.1350	0.000	1	118.1350	0.000	1	118.1350	0.000	1	120.0177	0.778	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	O[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.5055	0.240	2	119.5055	0.057	2	120.1118	0.623	20	120.0177	0.778	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	O[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1792	0.803	18	120.1792	0.645	18	120.1118	0.623	20	120.0177	0.778	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	2:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	O[6a]-2:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC[6])	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC[6]){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	120.2058	0.538	10	120.2058	0.289	10	120.2058	0.289	10	120.2058	0.289	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.1550	0.000	1	119.1550	0.000	1	119.1550	0.000	1	120.0761	6.058	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.9143	3.143	6	120.7609	9.230	9	120.7609	9.230	9	120.0761	6.058	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.4540	0.502	3	120.7609	9.230	9	120.7609	9.230	9	120.0761	6.058	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.1510	0.000	1	122.1510	0.000	1	119.8500	10.589	2	120.0761	6.058	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OH){2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.5490	0.000	1	117.5490	0.000	1	119.8500	10.589	2	120.0761	6.058	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.1470	0.000	1	118.1470	0.000	1	118.1470	0.000	1	120.0761	6.058	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]O)(C[6a]S[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]O)(C[6a]S[6a]H)(OH){1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	117.8780	0.477	2	117.8780	0.227	2	117.8780	0.227	2	120.0761	6.058	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(OH)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<1>}	O(C[6a]C[6a]2)(H)	119.2720	0.000	1	120.8863	4.597	4	120.8863	4.597	4	120.0761	6.058	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(OH)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(OH){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<1>}	O(C[6a]C[6a]2)(H)	121.4243	2.271	3	120.8863	4.597	4	120.8863	4.597	4	120.0761	6.058	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S[6a]-2:H-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]O)(C[6a]S[6a]H)(OH)	C[6a](C[6a]C[6a]O)(S[6a]C[6a])(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]O)(C[6a]S[6a]H)(OH){1|C<3>}	C[6a](C[6a]C[6a]O)(S[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<1>}	O(C[6a]C[6a]2)(H)	119.2235	0.257	2	119.2235	0.066	2	119.2235	0.066	2	120.0761	6.058	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.8690	0.731	15	119.8690	0.535	15	120.1769	1.248	17	119.8857	2.523	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]Cl)2(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]N[6a]Cl)2(OC[6a]){1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a]2)2	122.4860	0.629	2	122.4860	0.396	2	120.1769	1.248	17	119.8857	2.523	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.2000	2.653	2	119.2000	7.039	2	119.2000	7.039	2	119.8857	2.523	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.6868	2.629	4	119.6868	6.913	4	119.1702	6.519	5	119.8857	2.523	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.1040	0.000	1	117.1040	0.000	1	119.1702	6.519	5	119.8857	2.523	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(OC){1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	125.4460	0.000	1	125.4460	0.000	1	127.3047	2.601	3	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(OC){1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(CH3)	128.2340	0.141	2	128.2340	0.020	2	127.3047	2.601	3	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(OC){1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.2570	0.000	1	125.2570	0.000	1	123.7407	2.154	3	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]Cl)2(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]N[6a]Cl)2(OC){1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	122.9825	0.927	2	122.9825	0.859	2	123.7407	2.154	3	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	124.6535	0.127	2	124.2810	0.424	3	120.0321	21.216	36	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC){2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CHHO)	123.5360	0.000	1	124.2810	0.424	3	120.0321	21.216	36	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]N[6a])(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]O)(N[6a]N[6a])(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	121.4887	1.488	3	121.4887	2.214	3	120.0321	21.216	36	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.5090	0.089	2	115.5090	0.008	2	120.0321	21.216	36	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.7175	7.994	2	119.7175	63.902	2	120.0321	21.216	36	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5580	0.000	2	116.6071	7.108	10	120.0321	21.216	36	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.1190	5.153	3	116.6071	7.108	10	120.0321	21.216	36	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	115.9617	0.260	3	116.6071	7.108	10	120.0321	21.216	36	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3565	0.545	2	116.6071	7.108	10	120.0321	21.216	36	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]N[6a]H)2(OC){1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	121.6105	5.879	4	121.6105	34.560	4	120.0321	21.216	36	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]N[6a]H)2(OC){1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.7402	4.689	12	121.7402	21.983	12	120.0321	21.216	36	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(OP)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(OP){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PNNO)	121.5920	0.000	1	121.5920	0.000	1	121.5920	0.000	1	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OP[6])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OP[6]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	118.8889	2.070	14	118.8889	4.284	14	118.8889	4.284	14	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OS)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OS){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SCOO)	118.8555	0.606	2	118.8555	0.367	2	118.8555	0.367	2	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.8967	0.542	3	117.8967	0.294	3	117.8967	0.294	3	120.1892	17.120	62	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OB[3x6])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OB[3x6]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.3840	0.000	1	120.3840	0.000	1	120.3840	0.000	1	120.3840	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[5])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[5]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.9910	0.000	1	118.9910	0.000	1	117.4495	4.752	2	117.1329	1.419	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	115.9080	0.000	1	115.9080	0.000	1	117.4495	4.752	2	117.1329	1.419	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(H)	117.3880	0.383	2	117.3880	0.147	2	117.3880	0.147	2	117.1329	1.419	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH){2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeC[6a]){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.5075	1.258	2	117.5075	1.582	2	116.9423	1.464	6	117.1329	1.419	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeSe)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH){2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeSe){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6598	1.262	4	116.6598	1.593	4	116.9423	1.464	6	117.1329	1.419	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	120.5500	0.000	1	120.5500	0.000	1	120.5500	0.000	1	121.4783	1.734	4	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(OC[6a]){1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)2	123.3410	0.000	1	123.3410	0.000	1	121.7877	2.026	3	121.4783	1.734	4	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]O)2(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OH)	O(C[6a]C[6a]2)2	C[6a](C[6a]N[6a]O)2(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OH){1|C<3>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)2	121.0110	0.658	2	121.0110	0.432	2	121.7877	2.026	3	121.4783	1.734	4	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.8930	0.447	2	116.8773	0.101	3	118.4180	9.562	4	118.6905	12.041	6	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.8460	0.000	1	116.8773	0.101	3	118.4180	9.562	4	118.6905	12.041	6	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.0400	0.000	1	123.0400	0.000	1	118.4180	9.562	4	118.6905	12.041	6	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6]){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6]){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	123.1490	0.000	1	123.1490	0.000	1	123.1490	0.000	1	118.6905	12.041	6	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.3220	0.000	1	115.3220	0.000	1	115.3220	0.000	1	118.6905	12.041	6	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](C[5a]C[5a]O[5a])(O[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OH){1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(O[6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.7430	0.000	1	118.7430	0.000	1	118.4000	0.235	2	121.5619	13.644	29	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](C[5a]C[5a]S[5a])(O[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OH){1|S<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(O[6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.0570	0.000	1	118.0570	0.000	1	118.4000	0.235	2	121.5619	13.644	29	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.1273	0.460	8	122.1273	0.211	8	123.9079	5.239	16	121.5619	13.644	29	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<4>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(H)	124.0317	2.408	3	124.0317	5.799	3	123.9079	5.239	16	121.5619	13.644	29	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(H)	126.2590	0.000	1	126.6828	0.400	5	123.9079	5.239	16	121.5619	13.644	29	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(H)	126.2195	0.083	2	126.6828	0.400	5	123.9079	5.239	16	121.5619	13.644	29	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(H)	127.3580	0.270	2	126.6828	0.400	5	123.9079	5.239	16	121.5619	13.644	29	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.6648	0.540	6	116.6648	0.291	6	116.6059	0.267	7	121.5619	13.644	29	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.2520	0.000	1	116.2520	0.000	1	116.6059	0.267	7	121.5619	13.644	29	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(COO){1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	124.1500	0.376	2	124.1500	0.142	2	124.1500	0.142	2	121.5619	13.644	29	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH){4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(C[6a]C[6a]O){1|O<1>,1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(H)	118.8940	0.000	1	118.8940	0.000	1	120.7130	6.618	2	121.5619	13.644	29	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](C[6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.5320	0.000	1	122.5320	0.000	1	120.7130	6.618	2	121.5619	13.644	29	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]O)	122.7397	0.491	3	122.7397	0.241	3	122.6239	0.095	7	120.7867	6.737	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	122.5550	0.134	2	122.5550	0.018	2	122.6239	0.095	7	120.7867	6.737	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	122.5190	0.037	2	122.5190	0.001	2	122.6239	0.095	7	120.7867	6.737	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.8370	0.824	2	116.7653	0.355	3	118.2146	4.208	5	120.7867	6.737	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.6220	0.000	1	116.7653	0.355	3	118.2146	4.208	5	120.7867	6.737	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6a]C)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	120.8170	0.000	1	120.8170	0.000	1	118.2146	4.208	5	120.7867	6.737	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS)	O(C[6a]C[6a]2)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(OC[6a]){1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)2	119.9600	0.000	1	119.9600	0.000	1	118.2146	4.208	5	120.7867	6.737	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[5a]C[5a]O[5a])(O[6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OC){1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(O[6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.4030	0.355	2	116.4030	0.126	2	116.4030	0.126	2	117.2120	5.612	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	O(C[6a]C[6a]2)(CCHO)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<4>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(CCHO)	121.9640	0.891	2	121.9640	0.794	2	121.5843	0.829	3	117.2120	5.612	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.8250	0.000	1	120.8250	0.000	1	121.5843	0.829	3	117.2120	5.612	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:I-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(IOO)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(IOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.8650	0.288	2	115.8650	0.083	2	115.9020	0.046	3	117.2120	5.612	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:I-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(IOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(IOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.9760	0.000	1	115.9760	0.000	1	115.9020	0.046	3	117.2120	5.612	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.1280	0.357	4	116.1280	0.127	4	116.3395	2.495	10	117.2120	5.612	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	115.2515	0.537	2	115.2515	0.288	2	116.3395	2.495	10	117.2120	5.612	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	113.6670	0.000	1	113.6670	0.000	1	116.3395	2.495	10	117.2120	5.612	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	117.7970	0.000	1	117.7970	0.000	1	116.3395	2.495	10	117.2120	5.612	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	117.7520	0.000	1	117.7520	0.000	1	116.3395	2.495	10	117.2120	5.612	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(OC){1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS){1|Cl<1>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	119.1640	0.000	1	119.1640	0.000	1	116.3395	2.495	10	117.2120	5.612	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OP)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	O(C[6a]C[6a]2)(PC[6a]2Rh)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OP){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Rh)	114.0100	0.000	1	114.0100	0.000	1	114.3320	0.207	2	117.2120	5.612	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OP)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OP){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PO3)	114.6540	0.000	1	114.6540	0.000	1	114.3320	0.207	2	117.2120	5.612	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OS)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OS){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SCOO)	118.9407	1.235	4	118.9407	1.525	4	118.9407	1.525	4	117.2120	5.612	24	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:N-3:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[5])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[5]){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.6920	0.000	1	117.4019	2.744	10	117.5121	2.174	13	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.5360	0.000	1	117.4019	2.744	10	117.5121	2.174	13	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<4>}	O(C[6a]C[6a]2)(H)	115.7880	0.000	1	117.4019	2.744	10	117.5121	2.174	13	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.0716	0.944	5	117.4019	2.744	10	117.5121	2.174	13	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	117.3225	0.612	2	117.4019	2.744	10	117.5121	2.174	13	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.5830	0.000	1	117.5830	0.000	1	117.5121	2.174	13	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.6320	0.000	1	118.6320	0.000	1	117.5121	2.174	13	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.4230	0.000	1	117.4230	0.000	1	117.5121	2.174	13	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CCHH){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[6a]2)(H)	118.4210	0.612	2	118.4210	0.375	2	119.1855	0.529	17	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CC[5,6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CC[5,6]HH){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[6a]2)(H)	119.4550	0.000	1	119.4550	0.000	1	119.1855	0.529	17	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[6a]2)(H)	119.5547	0.251	3	119.3957	0.143	4	119.1855	0.529	17	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[6a]2)(H)	118.9190	0.000	1	119.3957	0.143	4	119.1855	0.529	17	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|O<1>}	O(C[6a]C[6a]2)(H)	119.9330	0.000	1	119.4346	0.496	5	119.1855	0.529	17	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[6a]2)(H)	119.3100	0.747	4	119.4346	0.496	5	119.1855	0.529	17	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|O<1>}	O(C[6a]C[6a]2)(H)	117.8120	0.000	1	118.6333	1.316	3	119.1855	0.529	17	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[6a]2)(H)	119.0440	1.273	2	118.6333	1.316	3	119.1855	0.529	17	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CN[6]HH){1|C<3>,1|C<4>,1|O<1>}	O(C[6a]C[6a]2)(H)	119.6005	0.247	2	119.6005	0.061	2	119.1855	0.529	17	118.4604	1.903	30	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.0590	0.000	1	119.0590	0.000	1	119.0590	0.000	1	119.0590	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.2470	0.000	1	120.2470	0.000	1	119.3993	0.734	3	119.1432	0.752	4	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.4170	0.000	1	118.9755	0.390	2	119.3993	0.734	3	119.1432	0.752	4	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.5340	0.000	1	118.9755	0.390	2	119.3993	0.734	3	119.1432	0.752	4	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:2:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OC)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CH3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.3750	0.000	1	118.3750	0.000	1	118.3750	0.000	1	119.1432	0.752	4	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6,6a]C[6a])(H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	O(C[6a]C[5,6,6a]C[6a])(H)	120.0635	2.047	2	120.0635	4.191	2	120.0635	4.191	2	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	119.8950	2.864	2	121.4055	5.929	4	121.4055	5.929	4	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	123.3950	0.000	1	121.4055	5.929	4	121.4055	5.929	4	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	122.4370	0.000	1	121.4055	5.929	4	121.4055	5.929	4	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(OH){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]O)(H){1|C<3>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	123.8020	0.307	2	123.8020	0.094	2	123.8020	0.094	2	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(Cl)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(OH){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	123.5820	0.000	1	123.5820	0.000	1	121.3240	2.915	4	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(Cl)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(Cl){1|Cl<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	120.5435	1.394	2	120.5435	1.942	2	121.3240	2.915	4	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(Cl)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	120.6270	0.000	1	120.6270	0.000	1	121.3240	2.915	4	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	120.7920	0.815	2	119.2452	8.206	5	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	118.2140	3.477	3	119.2452	8.206	5	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	120.5240	0.000	1	120.5240	0.000	1	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(H)	123.4502	1.438	13	123.4502	2.069	13	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	114.6070	0.000	1	114.6070	0.000	1	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	122.3350	0.000	1	122.3350	0.000	1	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	119.0650	5.182	2	119.0650	26.850	2	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	122.6870	0.000	1	123.8402	1.436	8	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	125.2497	0.384	3	123.8402	1.436	8	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	123.1620	0.000	1	123.8402	1.436	8	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	123.0930	0.272	2	123.8402	1.436	8	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	122.9380	0.000	1	123.8402	1.436	8	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	123.0770	0.000	1	123.0770	0.000	1	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	121.8100	0.000	1	119.2760	12.842	2	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	116.7420	0.000	1	119.2760	12.842	2	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	122.1830	6.124	2	122.3506	10.051	7	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	124.0230	0.000	1	122.3506	10.051	7	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	122.0162	2.550	4	122.3506	10.051	7	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	117.1765	0.237	2	120.4695	6.147	19	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	124.1320	0.000	1	120.4695	6.147	19	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	124.1540	0.000	1	120.4695	6.147	19	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	123.4525	0.346	2	120.4695	6.147	19	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	119.3350	0.000	2	120.4695	6.147	19	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	119.5665	0.260	2	120.4695	6.147	19	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	123.3410	0.000	1	120.4695	6.147	19	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	119.8780	0.000	1	120.4695	6.147	19	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	123.7280	0.000	1	120.4695	6.147	19	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	118.8390	0.000	1	120.4695	6.147	19	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	118.6320	2.165	2	120.4695	6.147	19	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	119.5077	1.347	3	120.4695	6.147	19	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	122.8800	0.174	2	122.6593	0.161	3	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	122.2180	0.000	1	122.6593	0.161	3	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5,6a]C[6a])(H)	117.3520	0.000	1	117.3520	0.000	1	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5,6a]C[6a])(H)	124.8225	2.023	2	124.8225	4.093	2	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(H)	124.1870	0.000	1	124.1870	0.000	1	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(H)	123.4870	1.405	5	123.6736	1.407	8	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(H)	123.9847	0.861	3	123.6736	1.407	8	121.9060	7.917	75	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(OH){1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	124.0250	0.000	1	124.0250	0.000	1	124.0250	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OH){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(O){1|H<1>,1|S<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	120.1910	0.000	1	120.1910	0.000	1	120.1910	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	126.9880	0.095	2	126.9880	0.009	2	126.9880	0.009	2	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	123.8203	0.281	4	122.9893	1.706	6	122.3049	8.453	18	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	121.3275	0.078	2	122.9893	1.706	6	122.3049	8.453	18	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(H)	124.8030	0.000	1	121.0340	17.176	5	122.3049	8.453	18	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[5a,6a]C[6a])(H)	119.5350	0.000	1	121.0340	17.176	5	122.3049	8.453	18	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(H)	117.3755	0.097	2	121.0340	17.176	5	122.3049	8.453	18	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(H)	126.0810	0.000	1	121.0340	17.176	5	122.3049	8.453	18	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[5a,6a]C[6a])(H)	119.2390	0.000	1	119.2390	0.000	1	122.3049	8.453	18	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(H)	124.6630	0.000	1	124.6630	0.000	1	122.3049	8.453	18	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|S<2>}	O(C[6a]C[5a,6a]C[6a])(H)	127.4830	0.000	1	124.8313	5.343	3	122.3049	8.453	18	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[5a,6a]C[6a])(H)	123.5055	0.374	2	124.8313	5.343	3	122.3049	8.453	18	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(H)	119.9930	0.322	2	119.9930	0.104	2	122.3049	8.453	18	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(H)	117.6230	0.000	1	121.5810	4.682	11	121.5810	4.682	11	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(H)	121.9327	0.263	4	121.5810	4.682	11	121.5810	4.682	11	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(H)	123.3570	0.600	3	121.5810	4.682	11	121.5810	4.682	11	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|Pd<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(H)	122.3035	1.184	2	121.5810	4.682	11	121.5810	4.682	11	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(H)	117.3590	0.000	1	121.5810	4.682	11	121.5810	4.682	11	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	120.9630	0.000	1	120.9630	0.000	1	120.9630	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.8180	0.000	1	116.8180	0.000	1	116.8180	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6,6a]H)(OH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6,6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6a]O)(H){3|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	116.9646	1.212	5	116.9646	1.470	5	116.9646	1.470	5	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Cl)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(Cl)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Cl)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(Cl){2|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	118.3910	0.000	1	118.3910	0.000	1	118.3910	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6,6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	118.9020	0.000	1	118.9020	0.000	1	119.7744	4.626	16	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H){1|C<3>,5|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	121.0535	0.161	2	122.4223	2.518	4	119.7744	4.626	16	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	123.7910	0.182	2	122.4223	2.518	4	119.7744	4.626	16	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.8613	0.756	3	120.8613	0.572	3	119.7744	4.626	16	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.0730	0.232	2	118.1519	1.040	8	119.7744	4.626	16	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H){2|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	117.6440	0.000	1	118.1519	1.040	8	119.7744	4.626	16	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H){1|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	120.6000	0.000	1	118.1519	1.040	8	119.7744	4.626	16	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H){2|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	117.7063	0.236	4	118.1519	1.040	8	119.7744	4.626	16	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OH){1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	115.9560	0.000	1	115.9560	0.000	1	119.6860	10.735	3	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.5510	0.775	2	121.5510	0.601	2	119.6860	10.735	3	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(Br)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]Br)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(Br){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	122.0370	0.255	2	122.0370	0.065	2	119.6327	1.672	12	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(Br)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	120.1760	0.000	1	120.0400	0.037	2	119.6327	1.672	12	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(Br)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|O<1>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.9040	0.000	1	120.0400	0.037	2	119.6327	1.672	12	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.0865	0.404	6	118.9297	0.349	8	119.6327	1.672	12	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br){1|C<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.7400	0.000	1	118.9297	0.349	8	119.6327	1.672	12	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.1790	0.000	1	118.9297	0.349	8	119.6327	1.672	12	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.8450	0.000	1	119.1012	2.553	11	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	118.2043	2.495	4	119.1012	2.553	11	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.7418	0.471	6	119.1012	2.553	11	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.0070	0.000	1	119.0070	0.000	1	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]O)(H){3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.9150	0.629	4	119.4413	5.842	6	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.4940	0.259	2	119.4413	5.842	6	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.7490	0.000	1	118.3027	1.542	3	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	119.7250	0.000	1	118.3027	1.542	3	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	117.4340	0.000	1	118.3027	1.542	3	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.3210	0.000	1	118.3210	0.000	1	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	119.7740	0.000	1	119.7740	0.000	1	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	114.9170	0.000	1	114.9170	0.000	1	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(H){3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	113.5345	0.716	2	113.5345	0.513	2	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6,6a]O)(H){3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.7335	0.841	2	116.7335	0.707	2	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(H){3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.8880	0.000	1	121.7130	0.061	2	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.5380	0.000	1	121.7130	0.061	2	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H){3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.0940	0.355	3	118.4667	2.517	7	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.2460	0.000	1	118.4667	2.517	7	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H){3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.9130	0.661	3	118.4667	2.517	7	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.7640	0.000	1	117.9203	11.092	3	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	115.9985	0.155	2	117.9203	11.092	3	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.3562	0.438	5	122.3562	0.192	5	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.6383	3.204	3	119.6738	13.146	5	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<4>,4|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	115.4810	0.000	1	119.6738	13.146	5	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	117.9730	0.000	1	119.6738	13.146	5	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	121.8720	0.000	1	121.8720	0.000	1	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.6350	0.000	1	121.6350	0.000	1	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.8030	0.000	1	116.8030	0.000	1	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.3320	0.000	1	119.5550	6.016	4	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	118.9620	0.000	1	119.5550	6.016	4	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.4630	0.164	2	119.5550	6.016	4	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	115.9470	0.000	1	115.9470	0.000	1	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]Br)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|Br<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.0320	0.000	1	116.0320	0.000	1	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.8500	0.165	2	118.1381	1.348	30	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.1250	0.000	1	118.1381	1.348	30	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.8680	0.375	2	118.1381	1.348	30	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.9860	3.637	2	118.1381	1.348	30	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.1568	0.835	4	118.1381	1.348	30	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.5110	0.000	1	118.1381	1.348	30	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.6888	0.707	16	118.1381	1.348	30	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.7940	0.000	1	118.1381	1.348	30	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.6560	0.000	1	118.1381	1.348	30	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.6504	0.620	22	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.4935	0.613	2	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	123.6010	0.000	1	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.9634	0.631	14	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	119.6575	0.424	2	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.8750	0.000	1	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	117.5840	0.000	1	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	115.8340	0.000	1	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	123.4020	0.000	1	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.7933	0.596	18	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.4673	0.742	3	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	117.3455	0.401	2	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.1350	0.000	1	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.3670	0.000	1	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.5830	0.000	1	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	115.0720	0.000	1	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.5983	0.971	24	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.4254	0.496	5	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.2050	0.462	26	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.0650	0.000	1	117.9203	1.552	128	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	123.0140	0.000	1	118.2393	2.825	58	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.4805	0.333	2	118.2393	2.825	58	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.2139	0.787	20	118.2393	2.825	58	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.7940	0.000	1	118.2393	2.825	58	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.2470	0.117	2	118.2393	2.825	58	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	123.9160	0.000	1	118.2393	2.825	58	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.2365	0.453	6	118.2393	2.825	58	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.4640	0.000	1	118.2393	2.825	58	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.0155	0.347	2	118.2393	2.825	58	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.6120	0.000	1	118.2393	2.825	58	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.4092	0.478	12	118.2393	2.825	58	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.7728	0.742	4	118.2393	2.825	58	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.8000	0.000	1	118.2393	2.825	58	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.7738	0.531	4	118.2393	2.825	58	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.8455	1.360	2	124.8444	3.700	71	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.5024	0.417	8	124.8444	3.700	71	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(H)	120.2360	0.000	1	124.8444	3.700	71	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.0290	0.000	1	124.8444	3.700	71	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6,6a]C[6a])(H)	119.4540	0.000	1	124.8444	3.700	71	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(H)	125.6290	1.190	3	124.8444	3.700	71	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(H)	125.6722	0.530	51	124.8444	3.700	71	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|N<3>}	O(C[6a]C[6,6a]C[6a])(H)	123.5440	0.000	1	124.8444	3.700	71	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(H)	126.2697	0.447	3	124.8444	3.700	71	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH){1|B<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	119.2060	0.000	1	119.8950	0.420	3	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH){1|Ga<5>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	120.2395	0.357	2	119.8950	0.420	3	119.6011	10.172	349	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|N<3>,1|S<4>}	O(C[6a]C[6,6a]C[6a])(H)	128.6460	0.000	1	128.6460	0.000	1	128.6460	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4,6a]H)(OH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4,6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a,6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	122.2550	0.000	1	122.2550	0.000	1	122.2550	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.4040	0.000	1	122.4040	0.000	1	122.4040	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OH){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.5840	0.000	1	116.5840	0.000	1	116.5840	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(Br)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OH){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(Br){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.4170	0.000	1	117.4170	0.000	1	117.4170	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(OH){1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	115.5845	0.381	2	115.5845	0.145	2	120.8878	10.774	10	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a,6a]C[6a])(H)	123.2618	0.200	5	123.2618	0.040	5	120.8878	10.774	10	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.2260	0.000	1	120.4667	5.848	3	120.8878	10.774	10	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.0870	0.525	2	120.4667	5.848	3	120.8878	10.774	10	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(Br)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(Br){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.9020	0.107	2	124.9020	0.012	2	122.0523	6.449	7	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.2890	0.000	1	124.2890	0.000	1	122.0523	6.449	7	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.3470	1.124	2	120.3470	1.264	2	122.0523	6.449	7	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(H)	120.0320	0.000	1	119.7895	0.118	2	122.0523	6.449	7	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(H)	119.5470	0.000	1	119.7895	0.118	2	122.0523	6.449	7	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Cl)(Cl)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(H)	120.0587	0.150	3	120.0587	0.023	3	120.5126	1.016	5	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Cl)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(H)	121.1935	1.573	2	121.1935	2.475	2	120.5126	1.016	5	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.9510	0.000	1	116.9510	0.000	1	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.6051	0.549	46	121.6051	0.302	46	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.2430	3.364	2	120.2430	11.319	2	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.2420	0.000	1	123.2420	0.000	1	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[5,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[5,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.2420	0.000	1	123.2420	0.000	1	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]C)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.5895	0.018	2	117.5895	0.000	2	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.3590	0.000	1	122.3590	0.000	1	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.1090	0.000	1	118.1090	0.000	1	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	114.9480	0.000	1	114.9480	0.000	1	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.3190	0.000	1	122.3190	0.000	1	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	114.2625	0.689	2	114.2625	0.475	2	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.0570	0.000	1	120.4967	10.436	4	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.5790	0.021	2	120.4967	10.436	4	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	115.7720	0.000	1	120.4967	10.436	4	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.6510	0.000	1	123.4843	0.574	3	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.6710	0.000	1	123.4843	0.574	3	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.1310	0.000	1	123.4843	0.574	3	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.4410	0.000	1	120.9327	6.785	17	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.4010	0.000	1	120.9327	6.785	17	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.0860	1.225	2	120.9327	6.785	17	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.9860	0.772	5	120.9327	6.785	17	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.2940	0.000	1	120.9327	6.785	17	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.1990	0.000	1	120.9327	6.785	17	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.8105	0.828	2	120.9327	6.785	17	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.2843	0.139	3	120.9327	6.785	17	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.9450	0.000	1	120.9327	6.785	17	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.2730	0.000	1	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.7115	0.203	2	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.3110	0.000	1	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.4060	0.000	1	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.2767	0.618	10	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.1020	0.000	1	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.0489	1.103	9	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.3051	3.573	16	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.4190	0.000	1	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.4220	0.894	4	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.4620	0.000	1	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.7443	1.602	21	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.0810	0.000	1	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.3780	0.000	1	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.1660	0.501	2	121.2166	8.438	72	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.7610	0.303	2	119.2741	0.823	106	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.5060	0.000	1	119.2741	0.823	106	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.5020	0.303	2	119.2741	0.823	106	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.1924	0.487	12	119.2741	0.823	106	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.3441	0.723	77	119.2741	0.823	106	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.5270	0.783	8	119.2741	0.823	106	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|S<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.7340	0.035	2	119.2741	0.823	106	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.2675	0.343	2	119.2741	0.823	106	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]S)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.3185	0.233	2	123.3185	0.054	2	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.0090	0.000	1	120.0090	0.000	1	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	125.1170	0.000	1	125.1170	0.000	1	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.5760	0.000	1	120.7050	2.890	58	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(H)	118.8695	0.448	2	120.7050	2.890	58	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(H)	119.3385	0.769	2	120.7050	2.890	58	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(H)	120.5680	1.277	40	120.7050	2.890	58	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<4>}	O(C[6a]C[6a,6a]C[6a])(H)	123.1740	1.723	5	120.7050	2.890	58	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|N<2>}	O(C[6a]C[6a,6a]C[6a])(H)	119.2480	0.624	2	120.7050	2.890	58	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.0528	2.329	5	120.7050	2.890	58	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.5470	0.000	1	120.7050	2.890	58	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	120.9657	3.211	3	120.6167	7.361	4	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	119.5700	0.000	1	120.6167	7.361	4	120.4687	4.683	327	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I){1|S<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.1920	0.000	1	120.1920	0.000	1	120.0182	0.087	5	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|I<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(H)	119.7030	0.000	1	119.9748	0.103	4	120.0182	0.087	5	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|N<2>,1|S<4>}	O(C[6a]C[6a,6a]C[6a])(H)	120.0653	0.324	3	119.9748	0.103	4	120.0182	0.087	5	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	122.2870	0.000	1	122.2870	0.000	1	122.2870	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	119.9500	1.929	3	119.9500	3.722	3	121.9453	5.241	9	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){2|C<3>,4|C<4>}	O(C[6a]C[6a]2)(H)	123.3935	1.348	2	123.3935	1.818	2	121.9453	5.241	9	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OH){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	123.5423	1.730	3	123.5423	2.992	3	121.9453	5.241	9	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OH){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br){1|C<3>,1|O<2>,4|C<4>}	O(C[6a]C[6a]2)(H)	120.2440	0.000	1	120.2440	0.000	1	121.9453	5.241	9	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.5570	0.000	1	116.5570	0.000	1	116.5570	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]H)(OH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]H)(OH){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.4180	0.000	1	117.4180	0.000	1	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	115.9190	0.000	1	115.9190	0.000	1	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){2|C<3>,4|C<4>}	O(C[6a]C[6a]2)(H)	121.8485	1.371	2	121.8485	1.880	2	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,2|O<2>,3|C<4>}	O(C[6a]C[6a]2)(H)	117.3453	0.121	3	117.3453	0.015	3	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.9262	0.385	4	118.5554	5.229	9	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.8460	0.545	3	118.5554	5.229	9	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.3780	0.253	2	118.5554	5.229	9	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]F)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]F)(OH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|F<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.8600	0.000	1	119.8600	0.000	1	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(H)	116.7380	0.000	1	117.7950	2.234	2	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6a]2)(H)	118.8520	0.000	1	117.7950	2.234	2	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.7720	0.000	1	120.4293	5.359	3	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.0080	0.000	1	120.4293	5.359	3	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.5080	0.000	1	120.4293	5.359	3	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(H)	115.1640	0.000	1	118.4288	6.037	12	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(H)	116.7850	0.000	1	118.4288	6.037	12	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	116.7640	0.000	1	118.4288	6.037	12	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.7505	0.200	2	118.4288	6.037	12	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	116.2510	0.000	1	118.4288	6.037	12	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.3173	2.920	3	118.4288	6.037	12	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.1820	0.000	1	118.4288	6.037	12	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.9830	0.000	1	118.4288	6.037	12	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.5640	0.000	1	118.4288	6.037	12	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.9510	0.000	1	117.9697	8.356	6	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.4150	2.683	4	117.9697	8.356	6	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	116.2070	0.000	1	117.9697	8.356	6	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.6385	0.853	4	119.8998	4.465	6	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.0300	0.000	1	119.8998	4.465	6	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.8150	0.000	1	119.8998	4.465	6	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.8625	0.098	2	122.8625	0.010	2	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	117.1970	0.275	5	117.1970	0.076	5	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.4673	0.725	3	118.4673	0.525	3	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	120.9530	2.652	4	120.9530	7.032	4	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(H)	119.8150	0.000	1	120.6283	6.922	3	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	O(C[6a]C[6a]2)(H)	118.5000	0.000	1	120.6283	6.922	3	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	123.5700	0.000	1	120.6283	6.922	3	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.5935	0.524	2	122.5935	0.275	2	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.5833	2.498	3	120.5833	6.240	3	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.4620	0.000	1	117.5020	0.003	2	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.5420	0.000	1	117.5020	0.003	2	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.0830	0.000	1	117.0830	0.000	1	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(OH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(OH){3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.6730	0.000	1	120.6730	0.000	1	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(OH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.6590	0.000	1	123.6590	0.000	1	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.1874	0.370	5	118.0587	0.209	6	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.4150	0.000	1	118.0587	0.209	6	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.6130	0.000	1	121.6130	0.000	1	119.0912	5.672	80	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]O[6a]C)(OH){2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.4365	0.220	2	118.4365	0.048	2	118.4365	0.048	2	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(Br){1|Br<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.0210	3.930	2	121.0210	15.446	2	121.0210	15.446	2	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	115.8550	0.000	1	115.8550	0.000	1	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OH){1|Si<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,4|C<3>}	O(C[6a]C[6a]2)(H)	121.7560	0.000	1	121.7560	0.000	1	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.6987	0.775	4	116.6987	0.601	4	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.5575	0.091	2	119.5990	2.760	3	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.6820	0.000	1	119.5990	2.760	3	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){4|C<3>}	O(C[6a]C[6a]2)(H)	117.7433	0.559	3	117.7433	0.313	3	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.8040	2.578	3	119.0907	11.053	4	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.9510	0.000	1	119.0907	11.053	4	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.5674	2.776	17	120.5674	7.707	17	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	115.7210	0.000	1	115.7210	0.000	1	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.0950	2.854	3	120.6920	4.777	5	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	O(C[6a]C[6a]2)(H)	121.3140	0.000	1	120.6920	4.777	5	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.8610	0.000	1	120.6920	4.777	5	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.3460	0.000	1	118.7455	13.525	2	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.1450	0.000	1	118.7455	13.525	2	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.6398	2.766	6	120.8119	6.585	7	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.8440	0.000	1	120.8119	6.585	7	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|S<2>}	O(C[6a]C[6a]2)(H)	119.3150	1.198	2	119.3150	1.435	2	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.0870	0.000	1	123.0870	0.000	1	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.1320	0.000	1	123.1320	0.000	1	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	123.8050	0.136	2	123.8050	0.018	2	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.5440	0.000	1	123.5440	0.000	1	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.6470	0.000	1	121.4120	9.172	5	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|O<1>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.6285	0.255	2	121.4120	9.172	5	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	124.5780	1.602	2	121.4120	9.172	5	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	115.6618	0.607	5	115.6618	0.369	5	119.7872	8.687	65	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]C)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(I){1|H<1>,1|S<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.5770	0.000	1	118.5770	0.000	1	118.5770	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]O)(H){1|C<3>,5|C<4>}	O(C[6a]C[6a]2)(H)	120.0220	0.000	1	120.0220	0.000	1	120.6737	6.080	44	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.3609	2.100	13	120.3609	4.411	13	120.6737	6.080	44	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.1260	4.142	2	120.8309	7.106	30	120.6737	6.080	44	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	121.7785	3.201	2	120.8309	7.106	30	120.6737	6.080	44	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.6584	2.629	26	120.8309	7.106	30	120.6737	6.080	44	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(Br){1|Br<1>,1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.7780	0.000	1	117.7780	0.000	1	120.9787	8.822	3	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.6460	0.000	1	123.6460	0.000	1	120.9787	8.822	3	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.5120	0.000	1	121.5120	0.000	1	120.9787	8.822	3	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.3160	0.000	1	123.3160	0.000	1	123.3160	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(C)	126.0740	0.000	1	126.0740	0.000	1	126.0740	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(H)	118.1740	4.424	2	118.1740	19.569	2	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]H)(OH){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.1790	0.000	1	122.1790	0.000	1	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.2560	0.576	2	118.2560	0.331	2	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.7600	0.000	1	116.7600	0.000	1	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	120.9180	0.000	1	118.9260	7.936	2	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	116.9340	0.000	1	118.9260	7.936	2	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OH)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.6010	0.000	1	123.6010	0.000	1	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.1245	3.942	2	120.2593	11.634	3	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OH){1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.5290	0.000	1	120.2593	11.634	3	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	O(C[6a]C[6a]2)(H)	122.0390	0.000	1	122.6020	0.634	2	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.1650	0.000	1	122.6020	0.634	2	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,5|C<4>}	O(C[6a]C[6a]2)(H)	121.3620	0.349	2	121.1827	0.157	3	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){2|C<3>,4|C<4>}	O(C[6a]C[6a]2)(H)	120.8240	0.000	1	121.1827	0.157	3	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(H)	115.8810	0.150	3	119.8613	6.044	17	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.8175	0.433	2	119.8613	6.044	17	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.2985	0.354	4	119.8613	6.044	17	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,3|C<4>}	O(C[6a]C[6a]2)(H)	122.6020	0.362	2	119.8613	6.044	17	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.6250	0.342	2	119.8613	6.044	17	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.9115	0.786	2	119.8613	6.044	17	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.8990	0.000	1	119.8613	6.044	17	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.9940	0.000	1	119.8613	6.044	17	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.5685	0.967	2	118.9462	2.099	4	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	117.7760	0.000	1	118.9462	2.099	4	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.8720	0.000	1	118.9462	2.099	4	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]O)(H){1|Si<4>,1|C<3>,4|C<4>}	O(C[6a]C[6a]2)(H)	121.7010	0.294	2	121.7010	0.087	2	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.2850	0.000	1	118.2850	0.000	1	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.4100	0.035	2	122.4100	0.001	2	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.0270	0.000	1	120.2145	20.320	2	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.4020	0.000	1	120.2145	20.320	2	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6a]2)(H)	122.5200	0.000	1	122.5200	0.000	1	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.5450	0.000	1	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6a]2)(H)	122.5095	0.216	2	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	119.7761	2.461	65	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	119.0008	1.733	5	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	121.9890	0.000	1	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.4090	4.067	2	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.8870	0.000	1	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	120.7039	2.338	9	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.1085	0.105	2	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.9810	2.773	3	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6a]C[6a]2)(H)	122.7160	0.017	2	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.8580	0.000	1	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.0680	0.000	1	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.9947	0.100	3	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.6950	0.000	1	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.9492	2.184	5	119.9999	5.753	104	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	O(C[6a]C[6a]2)(H)	118.1410	0.000	1	118.1410	0.000	1	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.1225	0.245	2	121.1225	0.060	2	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.9560	2.575	6	119.1376	5.602	53	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.2992	2.418	5	119.1376	5.602	53	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.9597	2.519	24	119.1376	5.602	53	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.2930	2.238	5	119.1376	5.602	53	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|B<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.6190	0.000	1	119.1376	5.602	53	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.7180	1.300	3	119.1376	5.602	53	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.1991	2.231	9	119.1376	5.602	53	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.7050	0.000	1	122.7050	0.000	1	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	116.9520	0.000	1	116.9520	0.000	1	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.3830	0.000	1	121.7685	11.381	2	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	124.1540	0.000	1	121.7685	11.381	2	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(H)	123.8110	0.000	1	122.2359	6.664	18	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.5612	2.986	9	122.2359	6.664	18	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.7730	0.000	1	122.2359	6.664	18	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O(C[6a]C[6a]2)(H)	123.6048	0.858	6	122.2359	6.664	18	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.9820	0.000	1	122.2359	6.664	18	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.6860	0.000	1	118.6860	0.000	1	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.3430	0.000	1	120.3430	0.000	1	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|S<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	115.7220	0.000	1	115.7220	0.000	1	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)2(OH)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)2(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H){1|Ga<6>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.5423	0.148	3	119.3332	9.688	6	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)2(OH)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)2(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.1240	0.912	3	119.3332	9.688	6	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	122.1830	0.000	1	122.1830	0.000	1	119.9861	6.376	238	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6,6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6,6a]O)(OH){4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(O){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.1280	0.000	1	117.1280	0.000	1	117.1280	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br){1|Br<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	124.2910	0.000	1	124.2910	0.000	1	120.4835	6.171	11	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OH){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.1015	0.401	2	120.1015	0.161	2	120.4835	6.171	11	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.4670	0.000	1	120.4670	0.000	1	120.4835	6.171	11	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH){1|Br<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.4610	3.550	2	123.4610	12.600	2	120.4835	6.171	11	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.6872	0.270	5	118.6872	0.073	5	120.4835	6.171	11	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(OH)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(OH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.4080	0.528	2	117.4080	0.278	2	119.9634	12.411	5	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.2750	0.000	1	118.2750	0.000	1	119.9634	12.411	5	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.3630	3.216	2	123.3630	10.342	2	119.9634	12.411	5	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(F){1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.3400	0.000	1	121.3400	0.000	1	121.3400	0.000	1	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(OH)	C[6a](C[6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.6240	0.000	1	120.6240	0.000	1	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.5630	0.296	2	119.1950	0.450	3	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(OH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.4590	0.000	1	119.1950	0.450	3	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(OH)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(OH){3|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.7770	0.000	1	116.7770	0.000	1	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]C)(OH)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]C)(OH){3|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.4090	0.000	1	122.4090	0.000	1	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OH)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.3210	0.000	1	123.3210	0.000	1	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(OH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(H){1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	124.1263	0.927	3	124.1263	0.859	3	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){5|C<3>}	O(C[6a]C[6a]2)(H)	118.0830	0.000	1	118.0830	0.000	1	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.9510	0.365	2	119.2248	1.888	65	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.2029	1.164	60	119.2248	1.888	65	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<3>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.2995	0.477	2	119.2248	1.888	65	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.9370	0.000	1	119.2248	1.888	65	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.2090	0.000	1	121.2183	0.871	3	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.7230	0.519	2	121.2183	0.871	3	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.6505	0.655	2	123.6505	0.430	2	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.9740	0.000	1	119.9740	0.000	1	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.8730	3.381	2	119.8730	11.434	2	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.4400	0.000	1	119.3985	32.667	2	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	115.3570	0.000	1	119.3985	32.667	2	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.9830	0.000	1	122.9830	0.000	1	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.2033	2.944	3	121.2486	6.405	77	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	O(C[6a]C[6a]2)(H)	122.3760	0.326	3	121.2486	6.405	77	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.6070	0.000	1	121.2486	6.405	77	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.7580	0.000	1	121.2486	6.405	77	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.0060	0.000	1	121.2486	6.405	77	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.6653	0.397	6	121.2486	6.405	77	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.4693	0.729	3	121.2486	6.405	77	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.5950	0.000	1	121.2486	6.405	77	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.4495	3.441	2	121.2486	6.405	77	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.9945	2.582	53	121.2486	6.405	77	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.8110	3.223	3	121.2486	6.405	77	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	O(C[6a]C[6a]2)(H)	121.6163	3.949	3	121.6163	15.594	3	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.5525	2.341	2	120.5065	5.477	71	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.9658	2.363	21	120.5065	5.477	71	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.3037	2.351	48	120.5065	5.477	71	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.2450	0.000	1	123.2450	0.000	1	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.0415	2.275	15	122.0415	5.177	15	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,2|N<2>,2|O<2>}	O(C[6a]C[6a]2)(H)	123.6950	0.000	1	122.4821	7.042	15	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	118.6860	0.000	1	122.4821	7.042	15	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.9385	2.395	11	122.4821	7.042	15	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	124.4330	0.000	1	122.4821	7.042	15	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	118.0930	0.000	1	122.4821	7.042	15	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.0290	0.132	4	121.1259	0.108	7	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|F<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.8400	0.000	1	121.1259	0.108	7	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.4625	0.503	2	121.1259	0.108	7	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.0487	2.183	4	120.2053	6.127	22	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.5120	2.040	4	120.2053	6.127	22	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.8767	2.555	14	120.2053	6.127	22	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.1820	0.000	1	123.1820	0.000	1	120.6585	5.830	299	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.6460	0.000	1	120.6460	0.000	1	120.3360	0.192	2	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(I){4|C<3>}	O(C[6a]C[6a]2)(H)	120.0260	0.000	1	120.0260	0.000	1	120.3360	0.192	2	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OH){1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.0160	0.000	1	120.2975	0.158	2	117.6894	1.044	69	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OH){1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.5790	0.000	1	120.2975	0.158	2	117.6894	1.044	69	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]C)(OH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O){1|H<1>,1|S<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.5360	0.000	1	116.5360	0.000	1	117.6894	1.044	69	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.8380	0.295	3	119.0130	0.102	5	117.6894	1.044	69	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.2755	0.052	2	119.0130	0.102	5	117.6894	1.044	69	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.1690	0.000	1	117.5143	0.747	61	117.6894	1.044	69	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.7086	1.167	22	117.5143	0.747	61	117.6894	1.044	69	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.4372	0.601	38	117.5143	0.747	61	117.6894	1.044	69	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	122.0340	1.543	3	122.0340	2.380	3	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	124.3900	0.000	1	124.3900	0.000	1	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.5700	4.388	2	120.5700	19.257	2	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.6230	0.374	3	121.6230	0.140	3	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.4530	0.000	1	118.4530	0.000	1	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.6810	0.000	1	123.6810	0.000	1	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.2620	0.000	1	117.2620	0.000	1	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){3|C<3>}	O(C[6a]C[6a]2)(H)	117.1053	0.201	3	117.1053	0.040	3	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){3|C<3>}	O(C[6a]C[6a]2)(H)	116.4797	0.422	3	116.4797	0.178	3	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.7710	0.000	1	116.7710	0.000	1	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.7365	3.798	4	120.3226	11.674	5	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.6670	0.000	1	120.3226	11.674	5	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.3030	2.980	7	122.7424	10.124	8	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.8180	0.000	1	122.7424	10.124	8	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	122.3570	0.000	1	119.5179	1.609	113	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.9770	0.000	1	119.5179	1.609	113	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	124.6135	1.388	2	119.5179	1.609	113	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.3304	0.976	54	119.5179	1.609	113	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	122.2660	0.000	1	119.5179	1.609	113	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.2556	0.954	16	119.5179	1.609	113	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	123.6770	0.000	1	119.5179	1.609	113	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.3783	0.724	30	119.5179	1.609	113	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.4342	1.570	5	119.5179	1.609	113	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.2855	0.486	2	119.5179	1.609	113	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]O)2(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Br){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	120.6990	0.000	1	119.7485	8.364	44	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]O)2(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.7263	2.922	43	119.7485	8.364	44	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.2730	0.417	2	118.2730	0.174	2	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.2120	0.000	1	118.2338	0.218	5	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|I<1>}	O(C[6a]C[6a]2)(H)	118.6180	0.000	1	118.2338	0.218	5	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.1130	0.583	3	118.2338	0.218	5	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	124.9800	0.000	1	120.0357	4.703	25	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.2028	1.166	12	120.0357	4.703	25	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.9154	2.358	10	120.0357	4.703	25	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.5710	0.000	1	120.0357	4.703	25	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.7530	0.000	1	120.0357	4.703	25	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.8995	2.327	4	119.4225	7.341	6	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.4685	4.144	2	119.4225	7.341	6	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	117.6190	0.000	1	117.6190	0.000	1	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.7135	3.638	2	122.7135	13.236	2	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.6125	0.431	2	120.6125	0.185	2	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	121.8990	0.000	1	120.9737	2.400	8	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.8260	0.000	1	120.9737	2.400	8	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.7750	0.000	1	120.9737	2.400	8	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.4410	0.000	1	120.9737	2.400	8	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.1225	0.146	2	120.9737	2.400	8	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.8020	1.810	2	120.9737	2.400	8	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)(H)	125.4970	0.000	1	125.4970	0.000	1	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.7130	3.314	2	120.5805	7.920	4	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	120.4480	3.565	2	120.5805	7.920	4	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	117.6600	0.000	1	117.6600	0.000	1	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(Br){2|Br<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.4710	0.000	1	121.4710	0.000	1	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.6925	1.531	2	121.9483	9.154	83	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	124.7990	0.000	1	121.9483	9.154	83	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	121.4080	5.284	2	121.9483	9.154	83	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<2>,1|C<3>}	O(C[6a]C[6a]2)(H)	120.9041	2.994	8	121.9483	9.154	83	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	121.9659	2.989	50	121.9483	9.154	83	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a]2)(H)	121.6848	4.207	4	121.9483	9.154	83	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|S<4>}	O(C[6a]C[6a]2)(H)	123.0370	3.455	4	121.9483	9.154	83	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.5146	3.046	10	121.9483	9.154	83	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	124.5725	2.877	2	121.9483	9.154	83	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(Br){2|Br<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.1070	1.106	2	120.1070	1.223	2	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]O)2(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Br){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	118.2950	0.000	1	119.7723	8.835	3	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(OH)	C[6a](C[6a]C[6a]O)2(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Br){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	120.5110	3.794	2	119.7723	8.835	3	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OH){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.6480	0.000	1	122.6480	0.000	1	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.9590	0.000	1	121.1025	8.177	4	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	124.0960	0.000	1	121.1025	8.177	4	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	118.6775	0.602	2	121.1025	8.177	4	120.3643	6.727	340	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.7940	0.000	1	123.7940	0.000	1	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Cl)(OH){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	124.0020	0.000	1	124.0020	0.000	1	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.9180	0.000	1	118.3645	0.613	2	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.8110	0.000	1	118.3645	0.613	2	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Cl)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.0858	0.815	5	119.0858	0.664	5	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(OH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	125.3060	0.291	2	125.3060	0.085	2	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	124.0287	0.943	3	124.0287	0.890	3	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.1060	0.000	1	123.3792	1.211	4	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|I<1>}	O(C[6a]C[6a]2)(H)	122.0590	0.000	1	123.3792	1.211	4	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	124.1760	0.740	2	123.3792	1.211	4	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	119.5880	0.000	1	119.5880	0.000	1	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	117.7070	0.000	1	117.7070	0.000	1	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.0530	0.000	1	119.2493	1.948	7	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.4690	0.181	2	119.2493	1.948	7	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.2790	0.000	1	119.2493	1.948	7	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.4917	1.311	3	119.2493	1.948	7	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.2590	0.000	1	117.2590	0.000	1	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.8973	2.711	7	122.1056	11.312	8	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.5640	0.000	1	122.1056	11.312	8	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.5060	0.000	1	119.2735	1.272	114	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.9193	0.654	4	119.2735	1.272	114	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	119.9326	1.921	7	119.2735	1.272	114	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.3649	0.899	65	119.2735	1.272	114	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.4150	0.000	1	119.2735	1.272	114	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.1905	0.688	30	119.2735	1.272	114	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.9320	0.559	5	119.2735	1.272	114	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.9570	0.000	1	119.2735	1.272	114	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(Cl){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.5430	0.000	1	122.5430	0.000	1	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.6550	2.256	8	118.2883	3.259	13	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.5353	0.471	3	118.2883	3.259	13	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.9510	0.205	2	118.2883	3.259	13	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.3835	0.399	4	119.0910	5.099	10	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.5627	2.901	6	119.0910	5.099	10	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	124.1430	0.106	2	119.2168	2.900	72	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.0087	0.379	4	119.2168	2.900	72	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.8607	1.168	45	119.2168	2.900	72	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.8210	0.000	1	119.2168	2.900	72	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.4550	1.564	6	119.2168	2.900	72	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.6050	0.358	3	119.2168	2.900	72	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	125.5530	0.000	1	119.2168	2.900	72	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.8950	0.000	1	119.2168	2.900	72	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.5254	0.934	5	119.2168	2.900	72	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.2170	0.000	1	119.2168	2.900	72	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.7390	3.756	2	119.2168	2.900	72	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.4200	0.000	1	119.2168	2.900	72	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.6513	0.493	20	117.6513	0.243	20	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	118.5540	0.000	1	123.4403	17.963	3	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	125.8835	0.333	2	123.4403	17.963	3	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(Cl){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.4765	0.636	2	119.4765	0.404	2	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.5045	0.136	2	119.5045	0.019	2	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	125.2340	0.000	1	121.5443	10.070	8	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	124.0300	0.000	1	121.5443	10.070	8	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.5150	2.978	6	121.5443	10.070	8	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.0865	3.924	2	123.0865	15.396	2	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.8960	0.000	1	118.8960	0.000	1	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Cl){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	118.5460	0.000	1	118.5460	0.000	1	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|O<2>,1|S<4>}	O(C[6a]C[6a]2)(H)	116.6900	0.000	1	116.6900	0.000	1	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	124.9970	0.000	1	124.9970	0.000	1	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){1|Cl<1>,1|C<3>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.8090	0.000	1	121.2648	8.533	45	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.0320	4.817	2	121.2648	8.533	45	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.8288	3.312	12	121.2648	8.533	45	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	121.5366	2.760	30	121.2648	8.533	45	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<2>,1|C<3>}	O(C[6a]C[6a]2)(H)	121.1650	3.629	6	121.4139	8.395	16	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.5858	3.377	4	121.4139	8.395	16	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a]2)(H)	121.7540	1.755	2	121.4139	8.395	16	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.8615	2.985	2	121.4139	8.395	16	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	121.0290	3.533	2	121.4139	8.395	16	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){1|Cl<1>,1|C<3>,1|S<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.3340	0.000	1	123.3340	0.000	1	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(OH)	C[6a](C[6a]C[6a]O)2(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Cl){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.0590	0.000	1	117.0590	0.000	1	119.8091	5.438	350	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]F)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]F)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(F){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.0960	0.000	1	122.0960	0.000	1	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OH)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OH){1|F<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]O)(F){3|C<3>}	O(C[6a]C[6a]2)(H)	121.4050	0.233	2	121.4050	0.054	2	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(F){3|C<3>}	O(C[6a]C[6a]2)(H)	115.7290	0.474	2	115.7290	0.224	2	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.9980	0.000	1	116.6665	0.220	2	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.3350	0.000	1	116.6665	0.220	2	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.1550	0.000	1	119.4379	0.737	22	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.5746	0.643	5	119.4379	0.737	22	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.6629	0.764	16	119.4379	0.737	22	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.3275	0.432	2	118.3275	0.187	2	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(OH){1|C<3>,1|F<1>,1|P<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(F){1|C<3>,1|O<2>,1|P<3>}	O(C[6a]C[6a]2)(H)	116.4700	0.000	1	116.4700	0.000	1	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(OH){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	125.6380	0.000	1	125.6380	0.000	1	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(OH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|Br<1>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(H)	122.0013	3.170	18	121.5551	6.948	127	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(OH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|I<1>}	O(C[6a]C[6a]2)(H)	121.9108	3.071	16	121.5551	6.948	127	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(OH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.7649	2.588	30	121.5551	6.948	127	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(OH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(H)	121.2669	2.371	60	121.5551	6.948	127	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(OH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.7300	3.965	2	121.5551	6.948	127	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(OH){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.4820	0.000	1	121.5551	6.948	127	121.0849	7.133	160	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C)	115.0170	0.000	1	115.0170	0.000	1	120.2750	22.331	9	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(C)	124.3370	0.000	1	124.3370	0.000	1	120.2750	22.331	9	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(C)	125.7000	0.000	1	125.7000	0.000	1	120.2750	22.331	9	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C)	125.1360	0.000	1	120.5178	18.788	5	120.2750	22.331	9	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C)	120.1260	5.080	2	120.5178	18.788	5	120.2750	22.331	9	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C)	118.6005	4.512	2	120.5178	18.788	5	120.2750	22.331	9	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C)	114.8320	0.000	1	114.8320	0.000	1	120.2750	22.331	9	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:D-1:	C[6a](C[6a]C[6a]H)2(OD)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(D)	C[6a](C[6a]C[6a]H)2(OD){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(D)	119.8110	2.564	2	119.8110	6.574	2	119.8110	6.574	2	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OH){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.5630	0.000	1	122.4700	0.017	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OH){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.3770	0.000	1	122.4700	0.017	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.6820	0.000	1	115.6820	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.5117	0.387	6	115.5117	0.149	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	115.9595	0.257	2	115.9595	0.066	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.0090	0.000	1	117.0090	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.3170	0.000	1	119.3170	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.4070	0.000	1	118.4320	4.839	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.4382	2.540	4	118.4320	4.839	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.5904	0.269	7	116.5904	0.072	7	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.5020	0.000	1	119.5020	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.8900	0.000	1	118.6353	10.804	7	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.1240	0.000	1	118.6353	10.804	7	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.4762	1.025	4	118.6353	10.804	7	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.5280	0.000	1	118.6353	10.804	7	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.8853	1.060	3	120.0010	7.470	23	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.8810	0.000	1	120.0010	7.470	23	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.1803	3.227	3	120.0010	7.470	23	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.9760	0.392	2	120.0010	7.470	23	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.2810	0.000	1	120.0010	7.470	23	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.4973	2.572	4	120.0010	7.470	23	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.7380	3.889	2	120.0010	7.470	23	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	115.8575	0.156	2	120.0010	7.470	23	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	118.0180	0.000	1	120.0010	7.470	23	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.3785	2.517	4	120.0010	7.470	23	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.2930	0.000	1	121.2930	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.2105	0.576	2	118.2105	0.332	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	116.5170	0.000	1	118.6690	9.262	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.8210	0.000	1	118.6690	9.262	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.2130	0.000	1	117.4520	10.611	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.5715	0.059	2	117.4520	10.611	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.9140	0.000	1	121.9140	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.9825	2.121	2	118.9825	4.497	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.3610	0.000	1	116.3610	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.3323	3.343	4	118.7684	6.660	34	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	117.2120	0.000	1	118.7684	6.660	34	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	122.2400	0.000	1	118.7684	6.660	34	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	118.3013	2.348	6	118.7684	6.660	34	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.9080	0.000	1	118.7684	6.660	34	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	118.9534	2.588	20	118.7684	6.660	34	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	115.5610	0.000	1	118.7684	6.660	34	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	115.4720	0.000	1	115.4720	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(H)	117.8170	0.000	1	117.8170	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	117.8610	0.000	1	117.8610	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	117.0858	0.188	4	117.0858	0.035	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.6060	0.000	1	117.3770	1.189	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){5|C<3>}	O(C[6a]C[6a]2)(H)	118.1480	0.000	1	117.3770	1.189	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.8630	0.000	1	118.6550	5.284	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.8570	0.000	1	118.6550	5.284	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.2450	0.000	1	118.6550	5.284	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6575	0.593	2	116.6575	0.352	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.2900	0.240	2	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.0568	0.229	6	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.3487	1.074	3	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.2945	0.179	2	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.1232	2.992	4	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.6505	0.307	4	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.6853	2.794	35	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.6730	0.275	4	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.0446	0.494	5	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6915	0.750	2	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	117.9255	0.561	2	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1095	0.230	2	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.0780	0.328	4	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.7555	0.226	4	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.3750	0.000	1	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.8405	0.194	4	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.6710	0.000	1	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	117.7852	0.554	5	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.2322	0.195	8	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.4630	0.000	1	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.5345	0.583	2	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.3996	0.645	5	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.4105	1.347	40	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.0165	0.288	6	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.1780	0.000	1	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.2080	0.000	1	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6910	0.000	1	118.3397	4.501	155	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1500	0.000	1	117.2300	0.013	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.3100	0.000	1	117.2300	0.013	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.2460	0.000	1	117.2460	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.6776	2.009	5	118.9767	4.514	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.8600	0.003	2	118.9767	4.514	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.7800	0.000	1	118.9767	4.514	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1120	0.570	2	118.9767	4.514	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){2|C<3>,3|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.6320	0.000	1	118.9767	4.514	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.2366	1.948	13	119.2366	3.793	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.7940	0.000	1	118.7940	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.3950	0.000	1	119.9720	2.109	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.0290	0.000	1	119.9720	2.109	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.4920	0.000	1	119.9720	2.109	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.6575	0.776	6	119.4578	3.036	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.4470	0.000	1	119.4578	3.036	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.0830	0.000	1	119.4578	3.036	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.1440	0.000	1	119.4578	3.036	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	118.2917	0.241	3	119.4578	3.036	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6115	0.139	2	118.6557	12.546	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	122.7440	0.000	1	118.6557	12.546	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(OH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	116.1095	1.244	2	116.1095	1.547	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.4977	0.918	3	118.3238	5.078	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.5630	3.676	2	118.3238	5.078	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.9387	2.381	6	119.3700	5.161	8	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.6640	0.161	2	119.3700	5.161	8	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.7355	0.634	2	120.7343	5.545	127	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.6956	2.369	69	120.7343	5.545	127	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.1080	0.000	1	120.7343	5.545	127	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.0075	2.646	4	120.7343	5.545	127	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.1620	0.096	2	120.7343	5.545	127	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	121.0720	0.000	1	120.7343	5.545	127	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.2925	2.452	28	120.7343	5.545	127	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.6493	2.226	6	120.7343	5.545	127	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.2260	0.000	1	120.7343	5.545	127	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.2780	0.847	3	120.7343	5.545	127	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.8140	0.000	1	120.7343	5.545	127	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.6282	2.670	6	120.7343	5.545	127	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.8440	2.108	3	120.7343	5.545	127	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.1225	3.597	2	118.6601	5.051	31	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.6002	2.369	11	118.6601	5.051	31	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.1557	1.425	3	118.6601	5.051	31	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.6535	2.209	10	118.6601	5.051	31	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.5226	2.705	5	118.6601	5.051	31	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	116.2430	0.000	1	116.2430	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.9960	0.000	1	121.3237	8.368	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.7370	0.000	1	121.3237	8.368	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.2380	0.000	1	121.3237	8.368	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.5720	0.000	1	120.5720	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.4685	0.354	2	117.2275	4.459	246	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(H)	116.6620	0.000	1	117.2275	4.459	246	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.1282	1.799	6	117.2275	4.459	246	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	120.6116	2.850	5	117.2275	4.459	246	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.3221	2.464	71	117.2275	4.459	246	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	116.9482	1.687	161	117.2275	4.459	246	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.6657	0.658	3	117.3320	6.126	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.3470	0.187	2	117.3320	6.126	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|Fe<10>,1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.7270	0.000	1	117.3320	6.126	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	116.0450	0.653	2	117.3320	6.126	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.6700	0.000	1	117.3320	6.126	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|Ru<10>,1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.1420	0.000	1	117.3320	6.126	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	119.0935	3.188	4	119.0935	10.165	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	115.7450	0.338	2	118.2028	5.927	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.8693	0.367	3	118.2028	5.927	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	119.1700	2.313	6	118.2028	5.927	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	114.6920	0.000	1	118.2028	5.927	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.8270	0.000	1	118.2028	5.927	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	120.6000	0.164	2	118.2812	6.989	151	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	118.2501	2.648	149	118.2812	6.989	151	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.1520	0.000	1	121.1520	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.9595	1.621	2	119.9595	2.629	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]C[4,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]C[4,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.1017	2.795	3	119.1017	7.809	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	117.7277	3.627	3	118.4523	6.080	99	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.8392	2.464	21	118.4523	6.080	99	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	118.6630	2.825	4	118.4523	6.080	99	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.2739	0.557	10	118.4523	6.080	99	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.5341	2.589	61	118.4523	6.080	99	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.2029	2.339	48	118.3772	5.981	52	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.4688	3.106	4	118.3772	5.981	52	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1872	0.841	6	117.8378	4.946	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.3954	2.918	7	117.8378	4.946	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|S<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.3130	0.000	1	121.3130	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.7210	0.000	1	123.7210	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.5612	2.481	6	122.1986	5.541	8	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	122.6710	0.000	1	122.1986	5.541	8	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.5510	0.000	1	122.1986	5.541	8	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.9195	0.199	2	119.4655	3.740	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.2385	1.957	4	119.4655	3.740	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|P<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	114.2120	0.000	1	114.2120	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.3860	2.952	4	118.3860	8.714	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.1760	0.389	2	116.1760	0.151	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|Se<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.7985	0.269	2	121.7985	0.073	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.1210	0.000	1	119.2935	9.440	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	121.4660	0.000	1	119.2935	9.440	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.8695	0.358	4	120.9703	0.247	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|Br<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.5680	0.000	1	120.9703	0.247	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.7760	0.000	1	120.9703	0.247	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.5577	2.154	3	119.5577	4.638	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.8650	0.000	1	120.8650	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.3810	0.000	1	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.1257	3.974	4	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.1420	3.391	4	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.1705	4.106	2	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.7780	0.167	2	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.3520	3.875	2	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.9645	1.387	2	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.1332	2.815	20	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6820	0.000	1	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.7480	0.000	1	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.8906	1.788	5	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.9890	0.023	2	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6230	0.000	1	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.2533	2.350	28	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.5290	0.000	1	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.8730	0.000	1	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.8107	2.793	16	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.1405	3.430	2	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.3664	2.200	67	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.1790	0.000	1	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	120.1780	0.723	3	119.5671	6.592	166	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.2880	0.000	1	117.2880	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H){2|C<3>}	O(C[6a]C[6a]2)(H)	116.4900	0.000	1	116.4900	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.5235	0.166	2	118.8422	13.875	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.3820	0.286	2	118.8422	13.875	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.6110	0.000	1	118.8422	13.875	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.6310	0.000	1	118.8422	13.875	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.5645	1.044	4	122.5645	1.089	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.6910	0.000	1	121.1708	13.687	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	124.4880	0.000	1	121.1708	13.687	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	123.5810	0.000	1	121.1708	13.687	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.5470	4.134	2	121.1708	13.687	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.7793	2.762	4	121.5832	6.115	14	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	121.5048	2.503	10	121.5832	6.115	14	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.5257	1.343	12	122.5257	1.804	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.9510	0.000	1	117.3573	6.883	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.7979	1.955	10	117.3573	6.883	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.9720	0.576	2	116.9720	0.331	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.7835	0.033	2	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.8380	0.000	1	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.4158	0.482	4	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.8527	2.575	9	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.4865	2.724	35	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.0760	0.091	2	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.6345	2.907	2	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.0510	0.492	4	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.9822	1.578	19	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.0370	0.000	1	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	121.5290	0.000	1	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	118.7189	0.829	9	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.3105	0.831	2	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.4053	1.154	3	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.6778	1.176	4	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	118.4080	0.000	1	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.4390	0.000	1	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	116.8673	0.248	3	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.9140	0.034	2	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.8312	4.088	4	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.4740	0.000	1	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	116.0010	0.000	1	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.5170	1.208	3	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.3680	0.978	9	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	122.1620	0.000	1	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.1695	0.835	2	118.8895	5.277	126	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.4760	0.000	1	117.9671	2.193	7	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.9788	1.773	5	117.9671	2.193	7	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.4000	0.000	1	117.9671	2.193	7	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.4935	2.262	2	117.6184	0.775	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.4434	0.418	10	117.6184	0.775	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	124.1050	0.100	2	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.9305	0.431	2	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.7680	3.715	5	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	121.4720	0.000	1	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	121.9390	1.779	2	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.6040	0.000	1	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.6200	0.000	1	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.2580	0.000	1	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.3630	1.320	104	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.0915	1.400	103	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.5810	0.141	2	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	116.8380	0.062	2	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<2>,1|C<3>}	O(C[6a]C[6a]2)(H)	124.0440	0.030	2	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	120.4006	2.562	18	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.3942	1.272	147	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	121.1357	0.998	3	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.8775	3.604	4	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<2>}	O(C[6a]C[6a]2)(H)	118.6750	0.000	1	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6630	1.320	8	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	O(C[6a]C[6a]2)(H)	118.4028	0.447	6	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.5345	2.337	208	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|I<1>}	O(C[6a]C[6a]2)(H)	118.3535	1.705	2	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(H)	120.4376	2.616	7	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.4594	2.159	13	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.8908	1.915	18	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(H)	118.3110	0.000	1	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.2910	2.222	51	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.5995	1.373	124	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	117.9982	2.527	28	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.4395	1.081	128	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.8488	1.042	18	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.4943	1.443	993	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.6569	1.220	12	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.7717	0.910	44	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.8610	1.937	86	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1751	0.856	9	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.2823	1.155	127	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1060	0.902	2	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.7615	0.597	112	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Se<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.3035	0.121	2	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Se<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.2050	0.018	2	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	118.7970	0.821	51	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.9430	0.000	1	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.8790	0.535	4	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.7774	0.447	5	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(H)	116.7335	0.067	2	118.7981	3.254	2465	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.6870	0.000	1	118.2116	1.640	112	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.3797	0.531	3	118.2116	1.640	112	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.1342	1.083	105	118.2116	1.640	112	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.9293	0.870	3	118.2116	1.640	112	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.4175	0.226	4	116.4175	0.051	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H){2|C<3>}	O(C[6a]C[6a]2)(H)	117.6929	1.061	9	117.6929	1.126	9	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.8382	0.916	5	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.9336	3.176	8	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6685	1.887	22	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.4168	0.377	4	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.2070	0.000	1	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.9628	2.095	11	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.0667	2.514	255	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.3561	1.000	7	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	122.1820	0.086	2	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.7400	0.000	1	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.7657	1.225	211	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1860	0.000	1	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|N<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.5430	0.403	2	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1515	0.132	4	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){3|C<3>}	O(C[6a]C[6a]2)(H)	117.9898	0.123	4	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.0660	0.000	1	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.7455	0.596	2	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.5164	2.393	10	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.0033	1.681	39	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.3843	0.407	4	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){3|C<3>}	O(C[6a]C[6a]2)(H)	120.7830	0.000	1	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.7770	2.612	2	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.3215	0.267	2	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.9494	0.693	16	118.3454	4.622	615	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]O)(H){4|C<3>}	O(C[6a]C[6a]2)(H)	117.2640	0.000	1	117.2640	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	122.7750	0.000	1	122.7903	0.130	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.4380	0.000	1	122.7903	0.130	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	123.1580	0.000	1	122.7903	0.130	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.5820	0.000	1	122.5820	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.0650	0.000	1	115.0650	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.6970	0.000	1	122.6970	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.4960	0.000	1	116.4960	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.9720	0.404	3	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.5887	0.461	3	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.4420	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	117.8985	0.769	2	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.0390	3.182	3	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.7842	3.035	5	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.4860	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.3610	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.4930	0.546	2	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.5150	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	122.3300	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.2295	0.173	2	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.8660	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.6430	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.3030	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.6523	0.554	6	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.5703	0.319	3	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.1040	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.5457	0.826	4	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.0820	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.8070	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	122.3200	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.4390	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.4210	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.4080	0.229	2	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.1560	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.2060	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.3290	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.9570	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	117.5280	0.000	1	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.2830	0.123	2	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.1140	2.057	4	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.6737	3.105	3	120.1893	6.655	63	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6660	0.000	1	117.4963	8.841	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.3250	0.000	1	117.4963	8.841	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.8480	0.000	1	117.4963	8.841	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	115.1460	0.000	1	117.4963	8.841	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.2550	0.000	1	120.2323	5.317	9	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.3270	0.364	3	120.2323	5.317	9	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.1650	0.000	1	120.2323	5.317	9	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.9225	3.059	4	120.2323	5.317	9	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.3690	0.887	2	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.5680	0.000	1	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.5175	0.118	2	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.0417	2.492	7	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.0070	0.000	1	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.1195	0.403	8	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.4260	0.000	1	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.0490	0.000	1	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.9350	0.000	1	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.6260	0.000	1	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.1120	0.000	1	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.1660	0.000	1	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.5214	0.441	5	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.0330	0.151	2	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	123.1055	0.353	2	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.9173	3.026	7	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(H)	118.6970	0.000	1	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.8490	0.000	1	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.4847	0.201	4	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|Fe<11>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.1780	0.000	1	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.1058	1.149	4	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.7820	2.118	6	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.6826	0.807	5	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.2150	0.000	1	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.6368	2.365	4	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.6185	3.237	4	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.8958	1.966	5	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.0224	1.715	5	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.8130	0.000	1	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.6120	0.156	3	119.9873	5.342	88	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.7220	0.000	1	116.7220	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.7145	0.120	2	121.2582	0.922	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.3390	0.000	1	121.2582	0.922	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.2615	0.317	2	121.2582	0.922	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|Cl<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.5250	0.000	1	118.5250	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.7855	0.070	2	116.7855	0.005	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.6350	0.000	1	120.4510	8.506	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.5130	3.926	2	120.4510	8.506	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.1430	0.000	1	120.4510	8.506	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.2334	0.597	20	122.7781	2.688	49	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	122.9510	2.048	6	122.7781	2.688	49	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.7900	0.000	1	122.7781	2.688	49	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.3680	0.226	3	122.7781	2.688	49	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.2120	0.594	5	122.7781	2.688	49	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	123.4120	0.000	1	122.7781	2.688	49	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.4985	0.436	4	122.7781	2.688	49	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	121.3970	2.986	6	122.7781	2.688	49	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.0047	0.228	3	122.7781	2.688	49	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.2445	2.018	8	122.6242	1.463	61	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	122.5323	0.496	4	122.6242	1.463	61	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.8640	0.000	1	122.6242	1.463	61	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.6787	1.124	46	122.6242	1.463	61	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.9550	0.247	2	122.6242	1.463	61	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	124.6630	0.675	2	124.6630	0.455	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|I<1>}	O(C[6a]C[6a]2)(H)	122.5310	0.808	2	122.5310	0.652	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|I<1>}	O(C[6a]C[6a]2)(H)	122.4345	0.316	12	122.4345	0.100	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	124.2742	0.385	5	124.2742	0.148	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	117.8280	0.000	1	122.0013	7.083	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.8817	3.465	3	122.0013	7.083	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	118.9020	0.000	1	122.0013	7.083	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	123.4777	0.507	3	122.0013	7.083	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(H)	124.0930	0.000	1	122.0013	7.083	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	123.1120	0.000	1	122.0013	7.083	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	116.8940	0.488	2	116.8940	0.238	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	124.1870	0.000	1	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	124.4550	0.000	1	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.3760	0.000	1	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	123.8059	2.579	37	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.1880	0.000	1	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<3>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	116.7843	0.775	4	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<4>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	114.7110	0.000	1	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	124.7300	0.000	1	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(H)	119.8344	1.585	14	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.9889	3.153	32	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<4>}	O(C[6a]C[6a]2)(H)	121.6320	0.000	1	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	119.6871	1.885	39	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.8686	2.179	63	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(H)	123.3394	1.128	7	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.7000	1.550	3	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|S<4>}	O(C[6a]C[6a]2)(H)	123.1520	0.000	1	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<4>,1|S<4>}	O(C[6a]C[6a]2)(H)	124.9545	0.013	2	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(H)	123.1080	1.826	16	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a]2)(H)	119.3677	0.602	3	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	123.8764	0.758	11	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.9630	0.000	1	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.6168	2.650	19	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	124.6625	0.558	2	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.1968	1.758	5	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(H)	123.9950	0.000	1	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	116.8940	0.000	1	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(H)	123.5080	0.000	1	121.7453	8.727	269	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	120.4695	0.098	2	121.5458	9.585	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.6248	3.439	4	121.5458	9.585	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(H)	124.8860	0.000	1	121.5458	9.585	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.5960	0.000	1	121.5458	9.585	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(H)	125.0160	0.000	1	121.5458	9.585	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a]2)(H)	116.5220	0.000	1	121.5458	9.585	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	119.7223	1.977	4	119.5791	11.238	21	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	116.8015	0.363	4	119.5791	11.238	21	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|N<2>}	O(C[6a]C[6a]2)(H)	116.1285	0.059	2	119.5791	11.238	21	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(H)	123.1280	0.283	2	119.5791	11.238	21	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.8730	0.000	1	119.5791	11.238	21	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|N<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	124.8745	0.463	2	119.5791	11.238	21	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	117.1940	0.604	2	119.5791	11.238	21	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(H)	116.3190	0.629	2	119.5791	11.238	21	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|N<4>}	O(C[6a]C[6a]2)(H)	122.9530	1.312	2	119.5791	11.238	21	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|Br<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.4750	0.000	1	118.7860	1.309	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.4415	0.202	2	118.7860	1.309	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	O(C[6a]C[6a]2)(H)	120.1850	0.000	1	120.1850	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.5150	0.000	1	120.5290	6.857	98	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.8735	1.932	6	120.5290	6.857	98	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	121.0266	2.302	43	120.5290	6.857	98	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.7152	2.810	41	120.5290	6.857	98	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	119.8135	2.135	6	120.5290	6.857	98	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	123.7360	0.000	1	120.5290	6.857	98	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.3390	0.000	1	118.1780	0.052	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.0170	0.000	1	118.1780	0.052	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.3614	2.499	11	121.8509	6.440	398	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.4959	2.424	26	121.8509	6.440	398	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(H)	119.1410	0.000	1	121.8509	6.440	398	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.0865	0.419	2	121.8509	6.440	398	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.9264	2.415	16	121.8509	6.440	398	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	124.0270	0.000	1	121.8509	6.440	398	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.8690	2.467	120	121.8509	6.440	398	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	124.3905	0.525	2	121.8509	6.440	398	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.8993	2.617	218	121.8509	6.440	398	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.5060	0.000	1	121.8509	6.440	398	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.0795	4.158	2	121.0795	17.293	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.4450	0.000	1	121.8805	8.645	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	123.1300	0.817	2	121.8805	8.645	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	O(C[6a]C[6a]2)(H)	124.5570	0.000	1	121.8805	8.645	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	O(C[6a]C[6a]2)(H)	124.0890	0.000	1	121.8805	8.645	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.9320	0.000	1	121.8805	8.645	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(H)	121.6001	3.360	8	120.5557	8.567	21	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.3813	0.256	4	120.5557	8.567	21	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(H)	120.9194	2.849	8	120.5557	8.567	21	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.9880	0.000	1	120.5557	8.567	21	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.5230	0.000	1	122.5230	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.6240	0.000	1	121.0253	6.054	649	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.5940	0.000	1	121.0253	6.054	649	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.8455	0.339	2	121.0253	6.054	649	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.3875	2.603	62	121.0253	6.054	649	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.5413	2.406	14	121.0253	6.054	649	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.2146	2.247	92	121.0253	6.054	649	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.2406	2.659	36	121.0253	6.054	649	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.3460	0.226	2	121.0253	6.054	649	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	121.5885	3.145	2	121.0253	6.054	649	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.7309	2.447	339	121.0253	6.054	649	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.8873	2.273	95	121.0253	6.054	649	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(H)	123.3730	0.000	1	121.0253	6.054	649	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.0755	0.472	2	121.0253	6.054	649	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.3220	0.000	1	117.3220	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	121.6520	0.000	1	120.3112	3.785	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.6220	0.000	1	120.3112	3.785	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.0480	2.852	2	120.3112	3.785	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.1860	0.000	1	120.3112	3.785	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.0930	2.707	3	121.5348	5.667	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|S<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.8600	0.000	1	121.5348	5.667	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.4630	0.000	1	120.6137	5.994	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.1540	0.000	1	120.6137	5.994	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.3420	0.000	1	120.6137	5.994	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	121.4482	2.396	6	120.6137	5.994	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.5840	3.763	2	120.6137	5.994	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.5480	0.000	1	120.6137	5.994	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<4>}	O(C[6a]C[6a]2)(H)	123.8830	0.000	1	123.8830	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<4>}	O(C[6a]C[6a]2)(H)	122.4680	0.000	1	122.4680	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<4>}	O(C[6a]C[6a]2)(H)	116.8760	0.000	1	121.9622	7.522	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|P<4>}	O(C[6a]C[6a]2)(H)	122.9168	0.822	5	121.9622	7.522	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(H)	121.9027	3.366	6	121.9622	7.522	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<4>}	O(C[6a]C[6a]2)(H)	122.6320	0.000	1	121.9622	7.522	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(H)	122.7000	0.000	1	122.2503	0.422	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(H)	122.2128	0.664	12	122.2503	0.422	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<3>}	O(C[6a]C[6a]2)(H)	119.5728	2.910	6	120.1109	7.011	31	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	119.0125	2.550	4	120.1109	7.011	31	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)(H)	125.0060	0.000	1	120.1109	7.011	31	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(H)	122.1670	0.000	1	120.1109	7.011	31	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(H)	121.6570	0.000	1	120.1109	7.011	31	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<4>}	O(C[6a]C[6a]2)(H)	122.0830	0.000	1	120.1109	7.011	31	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|S<4>}	O(C[6a]C[6a]2)(H)	121.0185	0.086	2	120.1109	7.011	31	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.8001	2.730	15	120.1109	7.011	31	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|O<2>,1|S<4>}	O(C[6a]C[6a]2)(H)	121.6070	0.000	1	121.6070	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|S<4>}	O(C[6a]C[6a]2)(H)	122.8925	0.190	2	122.8925	0.036	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	119.5169	0.504	8	120.5980	3.730	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	123.1160	0.663	2	120.5980	3.730	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<4>}	O(C[6a]C[6a]2)(H)	124.2110	0.000	1	120.5980	3.730	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OH){2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|N<2>,2|H<1>}	O(C[6a]C[6a]2)(H)	124.2270	0.000	1	124.2270	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|I<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	125.5170	0.000	1	125.5170	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(H)	125.2257	0.675	7	124.7981	2.185	9	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|N<2>}	O(C[6a]C[6a]2)(H)	123.3015	2.997	2	124.7981	2.185	9	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(H)	121.5180	0.000	1	121.5180	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.9775	0.661	2	121.8867	0.243	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	121.7050	0.000	1	121.8867	0.243	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.8463	3.313	3	120.8463	10.974	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.4310	0.595	3	119.8353	5.016	26	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.5290	0.000	1	119.8353	5.016	26	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.4207	2.155	18	119.8353	5.016	26	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|F<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.5285	3.200	2	119.8353	5.016	26	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.1340	3.425	2	119.8353	5.016	26	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	118.2990	0.000	1	118.2990	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.1870	0.000	1	119.9168	9.570	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.5992	3.477	4	119.9168	9.570	5	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.2929	1.502	7	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.1535	3.088	2	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.9090	0.000	1	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.0550	0.000	1	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.9352	2.816	6	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.0751	2.655	9	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.6365	2.470	48	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.8235	0.057	2	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.0485	4.543	2	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.6350	0.000	1	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.8000	0.000	1	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.7626	1.914	144	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.9054	2.387	21	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.5890	2.028	8	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.5425	4.379	2	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	120.4430	4.582	2	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.7578	2.959	4	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.3483	2.574	14	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.0273	2.682	10	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.2827	3.283	20	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.3802	4.085	4	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.2235	2.118	4	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.3735	0.489	2	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.1897	3.085	3	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.9253	2.782	15	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.5196	2.632	73	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.3113	2.541	114	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.8630	0.000	1	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.7508	2.208	235	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.6050	2.346	4	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.1600	4.320	2	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.0067	2.364	42	119.7438	5.877	804	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.9990	0.000	1	123.0945	0.018	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	123.1900	0.000	1	123.0945	0.018	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.7422	1.602	4	121.2759	4.312	15	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.6860	0.000	1	121.2759	4.312	15	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	O(C[6a]C[6a]2)(H)	123.1290	0.000	1	121.2759	4.312	15	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	O(C[6a]C[6a]2)(H)	118.2420	0.000	1	121.2759	4.312	15	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.1450	3.476	3	121.2759	4.312	15	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(H)	121.1380	0.000	1	121.2759	4.312	15	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.6390	0.023	2	121.2759	4.312	15	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.1310	3.171	2	121.2759	4.312	15	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.9990	0.000	1	121.2313	9.292	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	116.9230	0.000	1	121.2313	9.292	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	123.7320	0.000	1	121.2313	9.292	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.9710	0.000	1	121.2313	9.292	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.7310	0.000	1	121.2313	9.292	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.0320	0.000	1	121.2313	9.292	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.7583	0.366	3	119.7132	5.476	72	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.7520	2.690	3	119.7132	5.476	72	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.6220	0.122	3	119.7132	5.476	72	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.3740	0.000	1	119.7132	5.476	72	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.6644	2.452	60	119.7132	5.476	72	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.3595	2.852	2	119.7132	5.476	72	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.9610	0.000	1	119.4736	7.856	9	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.1030	0.000	1	119.4736	7.856	9	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.3860	0.000	1	119.4736	7.856	9	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.1722	3.131	4	119.4736	7.856	9	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.5615	3.985	2	119.4736	7.856	9	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	121.5960	0.000	1	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.0360	0.000	1	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.9134	1.893	7	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.7650	0.000	1	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.4613	1.819	3	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.5222	2.851	6	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.1751	2.372	9	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.2077	2.490	54	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.4320	0.346	2	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.3207	3.700	3	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.0070	0.000	1	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.5530	0.000	1	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.3920	0.000	1	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.3810	0.000	1	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.6077	0.163	3	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.9335	0.083	2	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.3390	0.000	1	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.5985	2.912	42	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.8470	0.465	5	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.0795	1.344	4	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	117.9612	2.843	4	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.3672	3.288	4	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.9021	2.460	93	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.1199	2.589	155	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.1295	0.124	2	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.0512	0.418	5	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.1440	0.000	1	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.5530	0.000	1	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.3080	0.000	1	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Au<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.1885	4.017	2	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.8812	2.360	12	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.3846	2.426	10	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.0061	2.371	54	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.1903	2.365	1283	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(H)	120.2470	2.527	8	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<2>}	O(C[6a]C[6a]2)(H)	119.6669	2.712	8	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	120.1138	2.768	102	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.2146	2.456	414	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(H)	119.9052	2.631	26	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.2594	2.631	288	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(H)	120.0935	1.875	2	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	120.2114	2.447	46	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)(H)	119.8272	3.140	6	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(H)	120.1282	2.681	102	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.9946	2.593	94	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.0185	2.299	23	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.1821	2.529	1484	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.6745	1.655	16	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.6287	0.399	3	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.5883	2.372	3	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.8283	0.147	3	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.1740	0.000	1	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.6545	0.442	2	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.9333	2.666	3	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.1251	3.027	15	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.0727	2.641	77	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.6339	2.495	125	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	114.7335	1.148	2	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.4960	0.000	1	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.4220	0.000	2	120.1154	6.266	4631	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.3440	0.000	1	119.2105	3.407	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.1547	0.138	3	119.2105	3.407	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|I<1>,1|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.8828	0.912	6	119.2105	3.407	10	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.8390	0.000	1	118.8943	6.468	46	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.0535	0.189	2	118.8943	6.468	46	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.6220	0.000	1	118.8943	6.468	46	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.9413	2.587	37	118.8943	6.468	46	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.9480	0.448	5	118.8943	6.468	46	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.6490	0.232	2	120.1290	6.958	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	117.0890	0.000	1	120.1290	6.958	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.4420	0.223	2	117.4420	0.050	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.8630	0.000	1	121.0777	10.651	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.6850	4.514	2	121.0777	10.651	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.9200	0.000	1	120.6917	6.708	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.7160	0.000	1	120.6917	6.708	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.4390	0.000	1	120.6917	6.708	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.2410	0.000	1	120.9021	5.937	7	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|N<2>,2|C<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.8645	3.713	2	120.9021	5.937	7	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.8363	2.690	4	120.9021	5.937	7	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.4390	0.000	1	120.4893	12.420	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.5145	0.482	2	120.4893	12.420	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.0030	0.000	1	121.1325	9.070	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.2620	0.000	1	121.1325	9.070	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.6925	0.943	4	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.1530	0.000	1	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.5596	2.172	143	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.8102	2.365	21	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.8808	1.075	4	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	121.1343	2.648	4	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.0390	3.287	4	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.8230	2.504	93	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.4112	2.519	155	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.4340	0.100	2	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1160	0.334	5	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|I<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.6405	0.573	6	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.1980	0.000	1	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.4635	3.022	4	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.6820	3.780	2	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.2225	2.373	6	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.4009	2.355	224	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.3865	2.491	30	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.0625	2.814	12	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.4120	0.000	1	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.4765	2.255	256	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.6211	2.065	7	119.8024	5.771	985	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.2235	1.481	2	123.2235	2.195	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.4220	0.000	1	117.4220	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.1050	0.000	2	121.1050	0.000	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	123.1560	0.000	1	122.8060	0.245	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.4560	0.000	1	122.8060	0.245	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.7610	0.000	1	122.7610	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.9480	3.019	3	121.8684	6.754	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.2310	0.000	1	121.8684	6.754	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	124.3500	0.000	1	121.8684	6.754	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	123.4930	0.000	1	121.8684	6.754	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.4658	1.882	5	121.8684	6.754	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	123.5210	0.205	2	121.8684	6.754	13	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.0070	0.000	1	121.0070	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	117.4420	0.000	1	117.4420	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.4950	0.000	1	122.4950	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	117.2627	1.039	3	121.5192	8.424	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	123.4110	1.353	4	121.5192	8.424	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(H)	123.3145	0.415	2	121.5192	8.424	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.3400	0.000	1	121.5192	8.424	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.3100	0.000	1	121.5192	8.424	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	116.3130	0.000	1	116.3130	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	116.7250	0.218	2	120.3218	6.258	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	118.0970	0.000	1	120.3218	6.258	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.9596	1.170	5	120.3218	6.258	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	123.1627	0.383	3	120.3218	6.258	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.0280	0.000	1	120.3218	6.258	12	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	118.7740	0.000	1	118.7740	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	124.7940	0.000	1	122.1243	16.478	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.7895	4.719	2	122.1243	16.478	3	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(H)	117.1190	0.000	1	117.1190	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.7180	1.868	2	120.7180	3.490	2	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(H)	116.5860	0.000	1	116.5860	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	115.9930	0.000	1	116.6178	0.368	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.4045	0.264	2	116.6178	0.368	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){2|Se<2>,1|C<3>}	O(C[6a]C[6a]2)(H)	116.9683	0.679	3	116.6178	0.368	6	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.3335	1.890	4	120.3335	3.572	4	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(H)	125.3130	0.000	1	125.3130	0.000	1	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	124.8190	0.437	3	122.6790	9.519	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.3917	3.748	6	122.6790	9.519	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(H)	123.3310	0.158	2	122.6790	9.519	11	119.7370	6.478	13333	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.2848	0.856	32	119.2721	0.715	33	119.4767	2.187	60	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.8670	0.000	1	119.2721	0.715	33	119.4767	2.187	60	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a]O)2(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(I){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.9930	0.000	1	116.9930	0.000	1	119.4767	2.187	60	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(H)	119.2253	0.521	12	119.2591	0.244	14	119.4767	2.187	60	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.4620	0.296	2	119.2591	0.244	14	119.4767	2.187	60	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.2370	0.752	2	119.2370	0.566	2	119.4767	2.187	60	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]I)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]I)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I){1|C<3>,2|I<1>}	O(C[6a]C[6a]2)(H)	117.9530	0.000	1	117.9530	0.000	1	119.4767	2.187	60	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]I)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]I)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<2>,1|C<3>,1|I<1>}	O(C[6a]C[6a]2)(H)	120.6555	3.115	4	121.0638	8.637	9	119.4767	2.187	60	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]I)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]I)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|C<4>,1|I<1>}	O(C[6a]C[6a]2)(H)	121.1650	4.712	2	121.0638	8.637	9	119.4767	2.187	60	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]I)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]I)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|I<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.8880	3.724	2	121.0638	8.637	9	119.4767	2.187	60	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]I)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]I)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,2|I<1>}	O(C[6a]C[6a]2)(H)	122.8460	0.000	1	121.0638	8.637	9	119.4767	2.187	60	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(O){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	118.3225	0.175	2	118.3225	0.031	2	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(O){1|C<3>,1|F<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.8300	0.000	1	118.8300	0.000	1	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.4158	0.302	4	117.4158	0.091	4	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|F<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]O)(O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.8930	0.000	1	117.8930	0.000	1	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	116.5005	0.360	2	116.5005	0.130	2	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|C<4>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.0619	0.515	15	119.2378	0.309	26	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|N<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.3310	0.000	1	119.2378	0.309	26	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|C<4>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.4410	0.000	1	119.2378	0.309	26	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|C<4>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.3870	0.516	9	119.2378	0.309	26	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|C<4>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.2170	0.000	1	121.2170	0.000	1	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.4630	0.804	10	119.2049	2.117	17	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.9455	0.093	2	119.2049	2.117	17	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.9926	0.871	5	119.2049	2.117	17	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](C[6a]C[6a]O)2(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(O){1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.5660	0.679	3	119.5660	0.462	3	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.5530	0.000	1	120.5530	0.000	1	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(OH){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(O){1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.0677	2.892	3	118.0677	8.362	3	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]O[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]O[6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(H)	122.6360	0.000	1	122.6360	0.000	1	119.0324	1.814	62	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se){1|Se<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.4150	0.000	1	119.4645	0.005	2	119.4645	0.005	2	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se){1|Se<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.5140	0.000	1	119.4645	0.005	2	119.4645	0.005	2	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(Cl)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[6a]2)(H)	120.0490	0.161	2	120.0490	0.026	2	120.0490	0.026	2	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	O(C[6a]C[6a]2)(H)	118.6330	0.000	1	118.6330	0.000	1	119.8395	2.911	2	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	O(C[6a]C[6a]2)(H)	121.0460	0.000	1	121.0460	0.000	1	119.8395	2.911	2	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.2587	0.352	4	116.2587	0.124	4	116.3912	2.578	12	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.2100	0.000	1	118.2100	0.000	1	116.3912	2.578	12	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(H)	116.0962	1.954	4	116.0962	3.817	4	116.3912	2.578	12	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(H)	114.8945	0.118	2	114.8945	0.014	2	116.3912	2.578	12	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(H)	119.2750	0.000	1	119.2750	0.000	1	116.3912	2.578	12	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(OH)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]O)(O){3|C<3>}	O(C[6a]C[6a]2)(H)	114.8730	0.000	1	114.8730	0.000	1	115.3443	0.841	3	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(OH)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(OH){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O){3|C<3>}	O(C[6a]C[6a]2)(H)	116.4010	0.000	1	116.4010	0.000	1	115.3443	0.841	3	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(OH)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	114.7590	0.000	1	114.7590	0.000	1	115.3443	0.841	3	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(H)	125.5760	0.154	2	125.5760	0.024	2	125.5760	0.024	2	119.8038	6.580	16042	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-2:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(HPt)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|Pt<5>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(HPt)	115.4675	1.087	2	115.4675	1.181	2	115.4675	1.181	2	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC)	123.3470	0.000	1	123.3470	0.000	1	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CN)	118.5925	3.256	2	118.5925	10.603	2	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CN)	122.4462	0.255	5	122.4462	0.065	5	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CN)	123.1530	0.000	1	122.7785	0.281	2	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CN)	122.4040	0.000	1	122.7785	0.281	2	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CN)	122.0210	0.000	1	119.0064	16.461	5	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CN)	118.3100	5.903	2	119.0064	16.461	5	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CN)	118.1955	4.430	2	119.0064	16.461	5	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH)	119.9825	6.524	2	119.9825	42.569	2	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CN)	114.8890	0.000	1	118.1413	14.808	7	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CN)	118.8545	4.446	2	118.1413	14.808	7	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CN)	118.4025	5.448	2	118.1413	14.808	7	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CN)	118.7930	5.179	2	118.1413	14.808	7	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CO)	117.3410	9.248	2	117.3410	85.517	2	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CN)	117.6120	5.688	2	117.5995	17.874	4	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CN)	117.5870	4.612	2	117.5995	17.874	4	119.5129	16.112	30	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(NC)	123.2030	0.000	1	123.5663	0.125	3	121.1594	19.150	18	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(NC)	123.7480	0.229	2	123.5663	0.125	3	121.1594	19.150	18	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(NC)	123.8220	0.000	1	124.2330	0.338	2	121.1594	19.150	18	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(NC)	124.6440	0.000	1	124.2330	0.338	2	121.1594	19.150	18	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(NC[6])	122.9527	0.075	3	122.9527	0.006	3	121.1594	19.150	18	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(ON)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(ON){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(NC)	125.6590	0.000	1	125.6590	0.000	1	121.1594	19.150	18	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(NC)	119.5960	6.887	2	118.1686	32.039	5	121.1594	19.150	18	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(NC)	119.3520	6.825	2	118.1686	32.039	5	121.1594	19.150	18	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(ON){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(NC)	112.9470	0.000	1	118.1686	32.039	5	121.1594	19.150	18	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(NC[6])	119.1480	5.876	2	119.0860	22.902	4	121.1594	19.150	18	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(NC[6])	119.0240	5.845	2	119.0860	22.902	4	121.1594	19.150	18	119.9438	17.678	50	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6,6a]C[6a])(CCO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<5>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6,6a]C[6a])(CCO)	119.5560	0.000	1	120.4768	7.459	6	120.4768	7.459	6	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6,6a]C[6a])(CCO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6,6a]C[6a])(CCO)	121.9060	3.473	3	120.4768	7.459	6	120.4768	7.459	6	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6,6a]C[6a])(CCO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6,6a]C[6a])(CCO)	118.7935	0.729	2	120.4768	7.459	6	120.4768	7.459	6	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H){1|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	121.7090	0.000	1	121.7090	0.000	1	119.8453	1.838	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	119.8763	0.641	3	119.8763	0.411	3	119.8453	1.838	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CCO)	117.9040	0.000	1	117.9040	0.000	1	119.8453	1.838	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	119.3285	0.218	2	119.3285	0.048	2	119.8453	1.838	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	116.4460	0.000	1	116.4460	0.000	1	119.8453	1.838	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CCO)	118.6890	0.000	1	118.6890	0.000	1	119.8453	1.838	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CCO)	120.2840	0.000	1	120.2840	0.000	1	119.8453	1.838	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5,6a]C[6a])(CCO)	121.3790	0.000	1	121.3790	0.000	1	119.8453	1.838	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	121.4890	0.000	1	121.4890	0.000	1	119.8453	1.838	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CNO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CNO)	120.0940	0.000	1	120.2368	0.465	5	119.8453	1.838	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CNO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CNO)	120.2725	0.782	4	120.2368	0.465	5	119.8453	1.838	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	123.7955	0.869	4	123.7955	0.755	4	123.7955	0.755	4	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(PNO)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(PNO)	119.0062	0.554	4	119.0062	0.307	4	119.0062	0.307	4	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(OC){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCO)	121.3600	0.000	1	121.3600	0.000	1	121.3600	0.000	1	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(O)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OC){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(O){1|H<1>,1|S<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCO)	117.8080	0.000	1	117.8080	0.000	1	117.8080	0.000	1	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCO)	119.5230	0.000	1	119.5230	0.000	1	119.2730	1.640	6	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCO)	118.9425	0.593	2	119.2230	2.032	5	119.2730	1.640	6	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCO)	117.7230	0.000	1	119.2230	2.032	5	119.2730	1.640	6	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCO)	120.2535	1.801	2	119.2230	2.032	5	119.2730	1.640	6	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	123.8152	0.661	4	123.8152	0.437	4	121.2797	5.794	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	123.1020	1.442	2	123.1020	2.081	2	121.2797	5.794	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	120.4180	2.222	16	120.4180	4.937	16	121.2797	5.794	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(CCO)	118.2180	0.000	1	118.3430	0.605	4	118.5718	0.715	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(CCO)	119.4780	0.000	1	118.3430	0.605	4	118.5718	0.715	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(CCO)	117.8580	0.000	1	118.3430	0.605	4	118.5718	0.715	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(CCO)	117.8180	0.000	1	118.3430	0.605	4	118.5718	0.715	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(CC[6a]O)	119.4870	0.000	1	119.4870	0.000	1	118.5718	0.715	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	119.7050	0.000	1	119.7050	0.000	1	119.7050	0.000	1	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(CCO)	120.3290	0.000	1	120.3290	0.000	1	120.3290	0.000	1	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	117.6640	0.000	1	117.6640	0.000	1	117.3724	1.970	8	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CCO)	118.0960	0.000	1	116.8690	1.139	3	117.3724	1.970	8	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CCO)	116.2555	0.138	2	116.8690	1.139	3	117.3724	1.970	8	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	117.7200	0.000	1	117.7200	0.000	1	117.3724	1.970	8	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CCO)	116.7120	0.000	1	116.3680	0.237	2	117.3724	1.970	8	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CCO)	116.0240	0.000	1	116.3680	0.237	2	117.3724	1.970	8	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CNS)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6,6a]C[6a])(CNS)	120.2520	0.000	1	120.2520	0.000	1	117.3724	1.970	8	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	121.2500	0.000	1	121.2500	0.000	1	119.4904	1.211	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC[6a]){1|B<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])2	119.0505	0.569	4	119.0505	0.324	4	119.4904	1.211	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(OC[6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(OC[6a]){5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.9905	1.255	4	119.9905	1.575	4	119.9905	1.575	4	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	118.6990	0.000	1	118.6990	0.000	1	119.2100	0.522	2	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	119.7210	0.000	1	119.7210	0.000	1	119.2100	0.522	2	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(COO)	120.6940	0.000	1	120.6940	0.000	1	120.6940	0.000	1	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	118.4950	0.000	1	118.4950	0.000	1	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	119.0850	0.000	1	119.0850	0.000	1	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6,6,6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CHH)	C[6a](C[6a,6a]C[6,6,6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a,6a]O)(H){1|P<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CHH)	123.7770	0.000	1	123.7770	0.000	1	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CHH)	C[6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CHH)	124.7710	0.000	1	124.7710	0.000	1	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	121.6930	0.000	1	121.6930	0.000	1	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	121.1140	0.000	1	121.1140	0.000	1	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCH)	125.7600	0.000	1	125.7600	0.000	1	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	120.8860	0.000	1	121.4680	0.677	2	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	122.0500	0.000	1	121.4680	0.677	2	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	115.7380	0.000	1	115.7380	0.000	1	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	117.9350	0.000	1	117.9350	0.000	1	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6]O)	119.8255	0.874	6	119.8255	0.764	6	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	117.6520	0.000	1	119.8056	2.363	5	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	121.2610	0.300	2	119.8056	2.363	5	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	119.4270	0.450	2	119.8056	2.363	5	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	117.5465	0.521	2	117.4487	0.165	3	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|S<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	117.2530	0.000	1	117.4487	0.165	3	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]C)	123.9800	0.000	1	123.9800	0.000	1	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	120.3260	3.301	4	120.3260	10.896	4	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	O(C[6a]C[6a,6a]C[6a])(COO)	121.9530	0.000	1	121.9530	0.000	1	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	119.3890	1.787	4	119.3890	3.193	4	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CCO)	118.6355	0.019	2	119.6843	0.636	9	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CCO)	119.9840	0.614	7	119.6843	0.636	9	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[5a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CC[5a]O)	122.0010	0.000	1	122.0010	0.000	1	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	119.7551	0.578	7	119.7551	0.334	7	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CNO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CNO)	118.5690	0.000	1	118.5690	0.000	1	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(COO)	119.7100	0.000	1	119.7100	0.000	1	120.0398	4.088	54	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5])	118.5540	0.088	2	118.5540	0.008	2	118.5540	0.008	2	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	124.9215	0.344	2	124.9215	0.119	2	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	124.1860	0.663	9	124.1860	0.439	9	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(H)	O(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])2	123.8060	0.000	2	123.8060	0.000	2	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.8120	1.434	4	120.4894	6.370	13	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	117.8590	0.000	1	120.4894	6.370	13	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	123.2040	0.000	1	120.4894	6.370	13	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.7720	0.000	1	120.4894	6.370	13	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	120.5147	1.554	4	120.4894	6.370	13	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	124.6100	0.762	2	120.4894	6.370	13	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	118.9860	0.000	1	118.9860	0.000	1	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])2	116.0780	1.151	2	116.0780	1.325	2	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	124.7000	0.468	4	124.7000	0.219	4	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	121.2788	2.122	5	121.2788	4.503	5	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	121.3297	1.961	3	121.3297	3.845	3	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])2	119.1500	0.000	2	119.1500	0.000	2	121.8632	7.900	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(POO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(POO)	122.1767	1.994	3	122.1767	3.976	3	122.1767	3.976	3	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CC[6a]O)	119.5880	0.000	1	119.5880	0.000	1	119.0905	7.508	21	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){2|C<3>,4|C<4>}	O(C[6a]C[6a]2)(COO)	117.7865	0.556	4	117.7865	0.309	4	119.0905	7.508	21	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	118.3040	0.600	2	118.3040	0.360	2	119.0905	7.508	21	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CCO)	117.8195	0.299	2	117.8195	0.089	2	119.0905	7.508	21	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CC[6a]O)	117.8460	0.000	1	117.8460	0.000	1	119.0905	7.508	21	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(COO)	116.5830	0.000	1	116.5830	0.000	1	119.0905	7.508	21	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CCO)	119.8590	0.000	1	119.8590	0.000	1	119.0905	7.508	21	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	116.1200	0.000	1	116.1200	0.000	1	119.0905	7.508	21	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	O(C[6a]C[6a]2)(CNO)	118.5560	0.693	2	118.5560	0.480	2	119.0905	7.508	21	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(COO)	122.5695	1.825	2	122.5695	3.331	2	119.0905	7.508	21	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(COO)	118.6440	0.000	1	118.6440	0.000	1	119.0905	7.508	21	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	115.7710	0.000	1	115.7710	0.000	1	119.0905	7.508	21	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|I<1>,5|C<3>}	O(C[6a]C[6a]2)(CHH)	125.4230	0.061	2	125.4230	0.004	2	119.0905	7.508	21	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)2	116.0300	0.000	1	118.1381	12.114	9	120.0155	16.670	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	114.3030	0.000	1	118.1381	12.114	9	120.0155	16.670	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]2)2	118.9871	3.481	7	118.1381	12.114	9	120.0155	16.670	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	114.8080	0.000	1	114.8080	0.000	1	120.0155	16.670	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	117.0755	0.302	2	117.0755	0.091	2	120.0155	16.670	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	123.3510	0.000	1	122.8140	10.957	10	120.0155	16.670	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)2	125.2260	0.000	1	122.8140	10.957	10	120.0155	16.670	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)2	125.1255	0.582	2	122.8140	10.957	10	120.0155	16.670	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)2	123.9177	1.087	3	122.8140	10.957	10	120.0155	16.670	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	116.7375	0.069	2	122.8140	10.957	10	120.0155	16.670	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|N<2>}	O(C[6a]C[6a]2)2	124.0840	0.000	1	122.8140	10.957	10	120.0155	16.670	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	118.3810	0.000	1	118.3810	0.000	1	119.8416	9.723	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(COO)	117.4330	0.000	1	117.4330	0.000	1	119.8416	9.723	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	118.9760	0.000	1	118.9760	0.000	1	119.8416	9.723	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	119.1270	0.000	1	119.1270	0.000	1	119.8416	9.723	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	125.2910	0.000	1	125.2910	0.000	1	119.8416	9.723	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OC[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|N<2>,3|C<3>}	O(C[6a]C[6a]2)2	120.5570	0.273	2	120.5570	0.074	2	121.4568	6.383	25	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)2	118.4460	0.880	2	118.4460	0.774	2	121.4568	6.383	25	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.1410	0.000	1	116.1410	0.000	1	121.4568	6.383	25	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)2	121.4775	3.376	2	121.4775	11.400	2	121.4568	6.383	25	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	123.4390	2.479	8	123.4390	6.147	8	121.4568	6.383	25	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	123.7805	0.083	2	123.7805	0.007	2	121.4568	6.383	25	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	120.5817	0.357	4	120.5307	0.117	8	121.4568	6.383	25	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	120.4797	0.371	4	120.5307	0.117	8	121.4568	6.383	25	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.7792	1.384	5	115.7792	1.914	5	115.7792	1.914	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,2|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.6420	0.000	1	120.6420	0.000	1	120.6420	0.000	1	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	118.6430	0.000	1	118.6430	0.000	1	118.4843	3.155	3	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6])(C[6a]C[6a]2)	120.1760	0.000	1	120.1760	0.000	1	118.4843	3.155	3	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6])(C[6a]C[6a]2)	116.6340	0.000	1	116.6340	0.000	1	118.4843	3.155	3	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]O)	117.4710	0.000	1	117.4710	0.000	1	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	119.5840	0.000	1	119.5840	0.000	1	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCO)	116.0770	0.000	1	116.0770	0.000	1	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CCH)	121.6780	0.000	1	121.6780	0.000	1	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CCO)	115.2260	0.858	2	116.9033	8.809	3	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	120.2580	0.000	1	116.9033	8.809	3	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CC[5]O)	119.0400	0.000	1	119.0400	0.000	1	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.8105	0.111	2	118.3735	0.465	6	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.8530	0.667	3	118.3735	0.465	6	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.0610	0.000	1	118.3735	0.465	6	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CNO)	121.0420	0.000	1	121.0420	0.000	1	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CCO)	122.3690	0.000	1	120.2127	7.113	4	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	118.1625	2.122	2	120.2127	7.113	4	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	122.1570	0.000	1	120.2127	7.113	4	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]O)	118.9480	0.000	1	123.9000	19.089	3	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	127.2110	0.000	1	123.9000	19.089	3	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]O)	125.5410	0.000	1	123.9000	19.089	3	119.4725	9.075	22	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)2	120.8760	0.000	1	119.1328	14.564	5	118.5852	10.666	9	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)2	116.9573	3.012	3	119.1328	14.564	5	118.5852	10.666	9	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|O<2>,3|H<1>}	O(C[6a]C[6a]2)2	123.9160	0.000	1	119.1328	14.564	5	118.5852	10.666	9	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.8280	4.367	2	118.8280	19.071	2	118.5852	10.666	9	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	116.9735	1.091	2	116.9735	1.190	2	118.5852	10.666	9	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br){1|Br<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	119.1890	0.000	1	119.1890	0.000	1	120.0920	1.417	3	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|Br<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	120.5435	1.269	2	120.5435	1.611	2	120.0920	1.417	3	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[5a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	117.3428	2.965	5	117.3428	8.792	5	117.3428	8.792	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCO)	116.7710	0.000	1	116.7710	0.000	1	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCO)	117.9770	0.000	1	117.5920	0.296	2	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	117.2070	0.000	1	117.5920	0.296	2	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	117.7478	1.292	6	117.7478	1.670	6	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	116.6690	0.093	2	116.6690	0.009	2	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCH)	124.0660	0.000	1	124.0660	0.000	1	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|I<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	117.9100	1.529	2	119.2799	4.277	8	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	119.7365	2.126	6	119.2799	4.277	8	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6]O)	116.7567	0.197	4	116.7567	0.039	4	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	122.0930	0.000	1	119.9054	6.978	7	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	120.0200	0.000	1	119.9054	6.978	7	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.4450	3.000	5	119.9054	6.978	7	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CNS)	117.8315	1.180	2	117.8315	1.393	2	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	120.1236	2.069	7	119.7788	4.620	8	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	117.3650	0.000	1	119.7788	4.620	8	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[5]O)	120.5040	0.000	1	120.5040	0.000	1	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	120.0787	3.693	6	120.0787	13.638	6	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CNO)	123.3875	0.808	2	123.3875	0.653	2	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CNS)	120.2600	0.000	1	120.2600	0.000	1	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.5247	0.983	4	119.5247	0.966	4	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	O(C[6a]C[6a]2)(CCH)	124.9380	0.000	1	124.9380	0.000	1	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	121.8920	0.000	1	121.8920	0.000	1	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	121.4468	0.869	4	121.4468	0.756	4	119.4930	6.341	61	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2)	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|N<2>,3|C<3>}	O(C[6a]C[6a]2)2	121.9895	0.052	2	121.9895	0.003	2	120.4361	7.519	37	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)2	118.7640	0.000	1	118.7640	0.000	1	120.4361	7.519	37	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|C<4>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)2	118.6570	0.000	1	118.6570	0.000	1	120.4361	7.519	37	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.4230	0.000	1	119.4230	0.000	1	120.4361	7.519	37	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	121.6979	3.874	7	121.6979	15.007	7	120.4361	7.519	37	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]2)2	122.9450	0.000	1	120.5654	9.839	10	120.4361	7.519	37	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	120.3010	3.207	9	120.5654	9.839	10	120.4361	7.519	37	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.5000	1.428	2	118.5000	2.040	2	120.4361	7.519	37	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	116.1520	0.328	2	116.1520	0.108	2	120.4361	7.519	37	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)2	120.4874	2.170	5	120.4874	4.709	5	120.4361	7.519	37	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.8143	0.667	4	120.8143	0.445	4	120.4361	7.519	37	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC[6a]){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	121.3870	0.201	2	121.3870	0.040	2	120.4361	7.519	37	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	121.3360	0.000	1	121.3360	0.000	1	121.3360	0.000	1	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	116.3140	0.000	1	116.3140	0.000	1	116.3140	0.000	1	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	118.9720	0.000	1	118.9720	0.000	1	119.5206	1.360	14	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.0875	1.080	2	119.0875	1.166	2	119.5206	1.360	14	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	119.3835	0.011	2	119.3835	0.000	2	119.5206	1.360	14	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCH)	116.4680	0.000	1	116.4680	0.000	1	119.5206	1.360	14	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	119.5790	0.000	1	119.5790	0.000	1	119.5206	1.360	14	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	120.6640	0.000	1	120.6640	0.000	1	119.5206	1.360	14	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)2(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)2(OC){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(CCO)	119.5990	0.180	2	119.5990	0.032	2	119.5206	1.360	14	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	120.2090	0.631	2	120.2090	0.398	2	119.5206	1.360	14	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Br)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.5240	1.331	2	120.5240	1.771	2	119.5206	1.360	14	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	115.9180	0.000	1	115.9180	0.000	1	119.5433	6.534	44	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	120.8990	0.045	2	120.2980	1.394	8	119.5433	6.534	44	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	120.0977	1.326	6	120.2980	1.394	8	119.5433	6.534	44	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	117.0570	2.350	6	117.5327	6.187	7	119.5433	6.534	44	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	120.3870	0.000	1	117.5327	6.187	7	119.5433	6.534	44	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)2(OC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)2(OC[6a]){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)2	119.2843	3.783	12	119.2843	14.309	12	119.5433	6.534	44	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]Br)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	120.1517	0.620	6	120.1517	0.385	6	119.5433	6.534	44	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	120.6442	1.285	8	120.6551	1.485	10	119.5433	6.534	44	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)2	120.6985	1.343	2	120.6551	1.485	10	119.5433	6.534	44	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:Ge[4]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OGe[4])	C[6a](C[6a]C[6a]O)2(Br)	O(C[6a]C[6a]2)(Ge[4]N[4]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OGe[4]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(Ge[4]N[4]2)	122.6470	1.076	2	122.6470	1.158	2	122.6470	1.158	2	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(OC[5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(OC[5]){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[5]C[5]N[5])(C[6a]C[6a]2)	119.3405	0.296	2	119.3405	0.088	2	119.3405	0.088	2	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	116.0497	0.610	3	116.1024	0.199	5	116.1024	0.199	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	116.1815	0.175	2	116.1024	0.199	5	116.1024	0.199	5	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	116.6880	0.000	1	116.6880	0.000	1	119.9338	1.317	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	120.6390	0.079	2	120.6390	0.006	2	119.9338	1.317	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.1250	0.000	1	117.6983	0.729	3	119.9338	1.317	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.4850	1.089	2	117.6983	0.729	3	119.9338	1.317	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CNN)	119.3950	0.000	1	119.3950	0.000	1	119.9338	1.317	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]Cl)2(OC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCN)	120.0835	0.341	4	120.0835	0.116	4	119.9338	1.317	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]Cl)2(OC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]N)	119.6140	0.143	2	119.6140	0.020	2	119.9338	1.317	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	120.4860	1.891	2	120.3291	0.708	8	119.9338	1.317	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CCO)	120.2768	0.512	6	120.3291	0.708	8	119.9338	1.317	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.5686	0.330	8	120.5686	0.109	8	119.9338	1.317	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CNS)	120.3740	0.058	2	120.3740	0.003	2	119.9338	1.317	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a]O)2(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Cl){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)2	117.1810	0.000	1	117.1810	0.000	1	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.8400	0.000	1	118.8400	0.000	1	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	117.0667	0.536	4	118.3346	3.562	14	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	118.2485	2.815	2	118.3346	3.562	14	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)2	118.2460	0.000	1	118.3346	3.562	14	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)2	120.7530	0.000	1	118.3346	3.562	14	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	118.6247	2.592	3	118.3346	3.562	14	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.3850	0.000	1	118.3346	3.562	14	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	118.8315	3.152	2	118.3346	3.562	14	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.7145	0.168	2	119.7145	0.028	2	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a]){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)2	123.2810	0.000	1	123.2810	0.000	1	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]O)2(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)2	117.3800	2.042	2	117.3800	4.170	2	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)2(OC[6a]){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)2	120.0440	1.967	2	120.0440	3.870	2	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	120.2315	0.804	4	120.2315	0.646	4	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.7260	0.284	2	120.7260	0.081	2	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)2	120.7220	0.000	1	120.7220	0.000	1	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	120.2650	0.000	1	120.2650	0.000	1	119.1493	3.620	31	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:P[4]-3:	C[6a](C[6a]C[6a]Cl)2(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]Cl)2(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(P[4]N[4]2)	120.7485	2.532	2	120.7485	6.412	2	120.7485	6.412	2	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,1|H<1>,1|N<3>}	O(C[6]C[5a,6]C[6])(C[6a]C[6a]2)	121.2865	0.517	2	121.2865	0.267	2	121.2865	0.267	2	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC){1|F<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]O)(F){3|C<3>}	O(C[6a]C[6a]2)(CCO)	117.1785	0.698	2	117.1785	0.487	2	119.7908	3.177	29	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.8650	0.000	1	117.8650	0.000	1	119.7908	3.177	29	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CCH)	117.9815	0.552	2	117.9815	0.305	2	119.7908	3.177	29	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	120.2690	0.000	1	120.2690	0.000	1	119.7908	3.177	29	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	116.4700	0.000	1	116.4700	0.000	1	119.7908	3.177	29	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(COO)	117.9900	0.000	1	117.9900	0.000	1	119.7908	3.177	29	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CC[3]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[3]O)	119.1650	0.000	1	119.1650	0.000	1	119.7908	3.177	29	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|I<1>}	O(C[6a]C[6a]2)(CCO)	120.8190	1.755	2	120.7198	1.265	4	119.7908	3.177	29	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(CCO)	120.6205	0.821	2	120.7198	1.265	4	119.7908	3.177	29	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(CC[5]O)	121.0115	3.166	2	121.0115	10.022	2	119.7908	3.177	29	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(CNS)	120.3355	0.005	2	120.3355	0.000	2	119.7908	3.177	29	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(COO)	120.4405	1.509	10	120.4405	2.276	10	119.7908	3.177	29	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.9380	1.096	2	120.9380	1.201	2	119.7908	3.177	29	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	119.7390	0.000	1	119.7390	0.000	1	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)(OC[6a])	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)(OC[6a]){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(F){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)2	120.8160	0.000	1	120.8160	0.000	1	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	120.2190	1.878	2	120.2190	3.527	2	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	120.1080	0.000	1	120.1080	0.000	1	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.3580	1.951	7	119.3765	4.322	31	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	118.4510	2.459	3	119.3765	4.322	31	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	121.2490	0.000	1	119.3765	4.322	31	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.4282	2.159	20	119.3765	4.322	31	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.3590	0.000	1	119.3590	0.000	1	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|O<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.5360	0.673	8	119.5360	0.453	8	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|I<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	121.6033	2.490	4	121.6033	6.200	4	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.0020	0.618	2	120.2396	2.238	48	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|Br<1>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	120.3087	1.791	12	120.2396	2.238	48	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|O<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	120.2442	0.958	4	120.2396	2.238	48	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	120.2938	1.480	30	120.2396	2.238	48	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<2>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)2	120.7935	0.825	4	120.7447	3.476	20	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|I<1>}	O(C[6a]C[6a]2)2	120.8770	2.055	10	120.7447	3.476	20	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|N<3>}	O(C[6a]C[6a]2)2	120.5765	3.375	2	120.7447	3.476	20	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)2	120.4495	2.161	4	120.7447	3.476	20	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.8755	2.259	2	120.8755	5.104	2	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]F)(F)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(OC[6a]){1|N<2>,2|F<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	O(C[6a]C[6a]2)2	121.5823	3.551	18	121.5823	12.608	18	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]O)2(F)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	121.5345	0.657	2	121.5345	0.432	2	120.3132	4.514	139	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]F)2(ON[5])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]F)(F)	O(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]F)2(ON[5]){1|N<2>,2|F<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(N[5]C[5]2)	121.0670	5.299	2	121.0670	28.080	2	121.0670	28.080	2	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(B[6]C[6]N[6])(C[6a]C[6a]2)	114.1990	0.000	1	114.1990	0.000	1	114.1990	0.000	1	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(B[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	122.6773	2.768	4	122.6773	7.664	4	121.1065	6.424	8	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[6a]O[6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(B[6a]O[6a]2)(C[6a]C[6a]2)	119.5357	0.864	4	119.5357	0.747	4	121.1065	6.424	8	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)	118.1450	2.160	8	118.1450	4.667	8	118.1450	4.667	8	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5]C[5,6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[5]C[5,6]N[5])(C[6a]C[6a]2)	118.9385	0.542	2	118.9385	0.294	2	118.4934	28.409	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	120.2885	8.987	2	120.2885	80.759	2	118.4934	28.409	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	118.5655	1.592	2	118.5655	2.534	2	118.4934	28.409	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[5]C[5]N[5])(C[6a]C[6a]2)	112.1388	0.403	4	114.2298	10.764	6	118.4934	28.409	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[5]C[5]N[5])(C[6a]C[6a]2)	118.4120	0.929	2	114.2298	10.764	6	118.4934	28.409	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]O)2(H)	O(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[5]C[5]N[5])(C[6a]C[6a]2)	125.0625	0.320	4	125.0625	0.103	4	118.4934	28.409	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[5]){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[5]N[5]S[5])(C[6a]C[6a]2)	113.1740	0.000	1	113.1740	0.000	1	118.4934	28.409	17	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[5a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[5a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	120.2402	2.843	5	120.2402	8.081	5	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	121.8190	0.000	1	121.8190	0.000	1	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[5a]N[5a]2)(C[6a]C[6a]2)	115.8590	0.470	2	115.8590	0.220	2	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	123.7420	0.422	3	123.7932	0.100	5	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	123.8700	0.153	2	123.7932	0.100	5	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	122.3525	0.517	2	120.4133	12.848	7	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	122.8230	0.000	1	120.4133	12.848	7	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	118.8413	4.227	4	120.4133	12.848	7	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5a]C[5a]2)(C[6a]C[6a]2)	120.1560	6.092	2	119.5942	18.264	10	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[5a]C[5a]2)(C[6a]C[6a]2)	119.4537	4.251	8	119.5942	18.264	10	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	114.1905	0.186	2	118.6140	18.034	25	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	114.9670	0.000	1	118.6140	18.034	25	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	119.1380	6.805	2	118.6140	18.034	25	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	119.6215	4.687	4	118.6140	18.034	25	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	118.8220	4.858	2	118.6140	18.034	25	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	119.0632	4.234	12	118.6140	18.034	25	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	119.4185	6.242	2	118.6140	18.034	25	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	119.5165	4.843	2	119.5165	23.454	2	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)	117.7148	3.668	4	117.7148	13.453	4	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[5a]N[5a]2)(C[6a]C[6a]2)	119.0095	3.955	4	119.0095	15.640	4	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	118.5600	1.341	2	118.5600	1.797	2	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	109.7002	0.325	4	109.7002	0.105	4	118.8696	19.197	71	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	119.9740	0.000	1	119.9740	0.000	1	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6,6]C[6])(C[6a]C[6a]2)	118.0680	0.000	1	118.0680	0.000	1	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|N<3>}	O(C[6]C[5a,6]C[6])(C[6a]C[6a]2)	119.6105	0.968	2	119.6105	0.937	2	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]N[6])(C[6a]C[6a]2)	119.5110	0.979	2	118.4845	1.724	4	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]N[6])(C[6a]C[6a]2)	117.4580	0.017	2	118.4845	1.724	4	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	117.5455	0.036	2	117.5455	0.001	2	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	118.4755	0.469	2	119.1057	7.732	14	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	119.9595	2.125	4	119.1057	7.732	14	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	118.7070	1.580	2	119.1057	7.732	14	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	118.8795	3.998	6	119.1057	7.732	14	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	118.5480	2.577	4	118.5480	6.640	4	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]N[6])(C[6a]C[6a]2)	118.7780	2.715	2	119.1202	3.093	4	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])(C[6a]C[6a]2)	119.4625	1.199	2	119.1202	3.093	4	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6,6]C[6])(C[6a]C[6a]2)	119.2580	2.833	2	119.2580	8.024	2	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]O)2(H)	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	117.4395	1.670	4	117.4395	2.790	4	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6]C[6]N[6])(C[6a]C[6a]2)	114.8580	0.778	2	114.8580	0.605	2	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pt<4>,1|C<3>,1|O<2>}	O(C[6]C[6]N[6])(C[6a]C[6a]2)	110.5800	1.155	2	110.5800	1.335	2	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ru<9>,1|C<3>,1|C<4>}	O(C[6]C[6]N[6])(C[6a]C[6a]2)	113.9840	0.000	1	113.9840	0.000	1	118.0832	8.049	43	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BBO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(BBO)	116.3167	0.387	4	116.3167	0.150	4	118.1783	6.899	24	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BC[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(BC[6a]O)	118.1266	3.028	12	118.1266	9.168	12	118.1783	6.899	24	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(BOO)	117.6320	0.805	3	117.6320	0.648	3	118.1783	6.899	24	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(BC[6a]2)	120.9050	0.000	1	120.9050	0.000	1	118.1783	6.899	24	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:	C[6a](C[6a]C[6a]H)2(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BC[6a]C)	C[6a](C[6a]C[6a]H)2(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(BC[6a]C)	119.6050	3.681	2	119.6050	13.551	2	118.1783	6.899	24	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:	C[6a](C[6a]C[6a]H)2(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BC[6a]Fe)	C[6a](C[6a]C[6a]H)2(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(BC[6a]Fe)	120.2405	2.781	2	120.2405	7.734	2	118.1783	6.899	24	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-3:	C[6a](C[6a]C[6a]H)2(OB[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(B[6]O[6]2)	C[6a](C[6a]C[6a]H)2(OB[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(B[6]O[6]2)	119.7515	2.063	2	119.7515	4.254	2	119.7515	4.254	2	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	120.6780	0.000	1	120.6780	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CNO)	118.5210	0.000	1	118.5210	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	117.1910	0.000	1	117.1910	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	120.7850	0.000	1	120.7850	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	121.2190	0.000	1	121.2190	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CNO)	120.1295	0.565	2	120.1295	0.319	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(COO)	115.7955	1.677	2	116.9270	5.246	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(COO)	119.1900	0.000	1	116.9270	5.246	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	117.0900	0.000	1	117.0900	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCO)	117.2990	0.000	1	117.6670	0.293	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CCO)	117.4130	0.000	1	117.6670	0.293	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCO)	118.2890	0.000	1	117.6670	0.293	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]O)	111.0610	0.000	1	111.0610	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(COO)	118.7560	0.000	1	118.7560	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	115.6500	0.000	1	115.6500	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	117.4430	0.000	1	116.8444	1.269	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	118.5290	0.000	1	116.8444	1.269	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	116.0833	0.268	3	116.8444	1.269	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5a]O)	118.2340	0.000	1	118.2340	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6]O)	119.4960	0.310	2	119.4960	0.096	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.2560	1.552	3	118.1255	1.442	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	117.7490	0.324	2	118.1255	1.442	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.2460	1.548	3	118.1255	1.442	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CNO)	119.7870	0.000	1	119.7870	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	117.0640	0.000	1	117.0640	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CHO)	118.2002	0.610	4	118.2002	0.372	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(COO)	119.4310	2.779	2	119.4310	7.722	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	119.5930	0.000	1	119.5930	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCH)	118.5790	0.000	1	118.5790	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	123.7925	0.982	2	120.1402	10.898	6	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	118.4183	2.586	3	120.1402	10.898	6	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	118.0010	0.000	1	120.1402	10.898	6	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[5]O)	119.2970	0.000	1	119.2970	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	119.0320	0.443	3	118.5346	11.026	7	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	121.4160	0.512	2	118.5346	11.026	7	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.2110	0.000	1	118.5346	11.026	7	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	111.6030	0.000	1	118.5346	11.026	7	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CNO)	117.2880	0.000	1	117.2880	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	115.4690	0.000	1	115.4690	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	112.5040	0.000	1	112.5040	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	120.9090	0.000	1	120.9090	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	116.2965	3.259	2	116.2965	10.621	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCH)	120.7860	0.000	1	120.7860	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	120.5060	0.366	2	119.0198	4.566	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CCO)	119.1340	0.000	1	119.0198	4.566	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	115.3630	0.000	1	119.0198	4.566	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CCO)	119.5900	0.000	1	119.0198	4.566	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[5,5,6]O)	117.9490	0.000	1	117.9490	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.5550	1.862	5	119.5550	3.467	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CCO)	118.2692	1.122	6	118.2692	1.259	6	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[3]O)	116.8630	0.000	1	116.8630	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3x6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[3x6]O)	121.1570	0.000	1	121.1570	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	117.0100	0.000	1	117.0100	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CNO)	120.2940	0.000	1	120.2940	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(COO)	119.3353	0.900	6	119.3353	0.811	6	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCH)	114.8300	0.000	1	114.8300	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	117.7800	1.919	7	118.1523	4.036	17	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	118.4129	2.130	10	118.1523	4.036	17	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5]O)	117.6720	0.000	1	117.6720	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6]O)	120.3997	0.317	4	120.3997	0.100	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	117.5525	3.585	6	117.6152	8.566	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	115.6360	0.000	1	117.6152	8.566	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.0078	2.595	6	117.6152	8.566	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CNO)	114.6555	0.057	2	114.6555	0.003	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CNS)	117.1230	0.000	1	118.4187	2.319	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CNS)	119.0665	1.456	2	118.4187	2.319	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	120.6750	0.000	1	120.6750	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	117.1205	1.118	2	117.1205	1.250	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	121.8340	0.000	1	121.8340	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCO)	118.9690	0.000	1	118.9690	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	119.7110	0.000	1	118.8445	1.775	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	119.5655	0.957	2	118.8445	1.775	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	117.3540	0.000	1	118.8445	1.775	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	118.6400	1.563	4	118.8445	1.775	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	117.3890	0.427	2	118.4830	1.680	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.7630	0.000	1	118.4830	1.680	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.3910	0.000	1	118.4830	1.680	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	115.4300	0.000	1	115.4300	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCH)	125.7330	0.000	1	125.7330	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	119.5535	0.385	2	119.5535	0.149	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	118.2810	0.000	1	118.2810	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CNO)	118.5840	0.000	1	118.5840	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCC)	119.3810	0.000	1	119.3810	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	117.3170	0.000	1	116.6397	0.479	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	116.4140	0.643	3	116.6397	0.479	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[5,5,6]O)	116.5250	1.807	2	116.5250	3.267	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	117.9090	0.000	1	117.9090	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.1990	1.242	3	118.0526	1.011	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	117.2020	0.000	1	118.0526	1.011	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.4640	0.000	1	118.0526	1.011	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	116.9580	0.000	1	116.9580	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCC)	114.6623	0.714	3	114.6623	0.510	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCH)	124.7000	0.000	1	124.1035	0.712	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCH)	123.5070	0.000	1	124.1035	0.712	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCN)	118.6870	0.000	1	118.0770	0.744	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CCN)	117.4670	0.000	1	118.0770	0.744	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	121.0030	0.262	2	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	120.2575	0.125	4	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	119.6590	0.000	1	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	119.1690	0.498	2	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	118.0499	0.984	7	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	118.1800	1.772	6	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	117.5780	1.563	3	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCO)	118.1900	0.000	1	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	118.2800	1.149	4	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	117.8802	0.871	6	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	117.4570	0.000	1	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	117.1206	1.387	22	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	117.5690	0.000	1	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	117.5430	0.776	2	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	117.8080	0.000	1	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CCO)	116.1800	0.000	1	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	118.1962	0.405	4	117.9607	2.125	68	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[4]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[4]H)	123.9350	0.000	1	123.9350	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5]O)	122.3930	0.000	1	122.3930	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5a]C)	122.8638	0.108	6	122.8638	0.012	6	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	116.5657	1.367	4	116.5657	1.869	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]C)	119.0460	0.560	3	119.0460	0.314	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]N)	117.4610	0.000	1	117.4610	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.3105	1.006	2	118.3827	2.231	35	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[6a]O)	119.9760	0.000	1	118.3827	2.231	35	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	119.3178	0.437	8	118.3827	2.231	35	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]O)	119.1480	0.553	2	118.3827	2.231	35	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	117.5870	0.000	1	118.3827	2.231	35	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[6a]O)	117.8680	0.000	1	118.3827	2.231	35	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	116.4410	1.672	2	118.3827	2.231	35	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.4840	3.132	3	118.3827	2.231	35	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.0407	1.525	13	118.3827	2.231	35	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	116.9500	0.000	1	118.3827	2.231	35	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.6910	0.000	1	118.3827	2.231	35	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHH)	122.8445	0.199	2	122.8445	0.039	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CNO)	121.9860	0.000	1	121.0143	0.916	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CNO)	120.0720	0.000	1	121.0143	0.916	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CNO)	120.9850	0.000	1	121.0143	0.916	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CNS)	117.2840	0.000	1	117.2840	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<1>,2|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(H){2|C<3>}	O(C[6a]C[6a]2)(COO)	117.0125	0.120	2	117.0125	0.014	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	116.3195	0.846	2	116.3195	0.716	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	117.6750	0.000	1	117.6750	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CNO)	117.6775	1.350	2	117.6775	1.822	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CNO)	119.2157	0.195	4	119.2157	0.038	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCC)	119.5530	0.000	1	119.5530	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCO)	118.3870	0.000	1	118.0698	0.524	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	O(C[6a]C[6a]2)(CCO)	118.3280	0.000	1	118.0698	0.524	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	117.5660	0.000	1	118.0698	0.524	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	117.9853	0.306	3	118.0698	0.524	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	119.2815	0.332	2	118.0698	0.524	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	118.0200	0.000	1	118.0698	0.524	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	117.5217	0.684	4	118.0698	0.524	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[6a]O)	118.6155	0.446	4	119.6434	2.165	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	121.4930	0.948	2	119.6434	2.165	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.7300	0.000	1	119.6434	2.165	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	120.9690	0.000	1	119.6434	2.165	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CNO)	116.9577	0.421	3	116.9577	0.177	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCH)	120.5330	0.000	1	120.5330	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	120.0280	0.000	1	120.0280	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	122.5260	0.000	1	122.4802	0.809	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	122.5960	1.523	2	122.4802	0.809	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	122.2030	0.000	1	122.4802	0.809	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CNN)	120.3450	0.000	1	120.3450	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CCO)	119.0860	0.049	2	119.0860	0.002	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	121.0660	0.000	1	121.0660	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	119.7620	0.000	1	119.7620	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(CCH)	125.5030	0.563	2	125.5030	0.317	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(CC[6a]O)	123.5230	0.000	1	123.5230	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(COO)	122.0780	0.000	1	122.0780	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	120.2040	0.000	1	120.2040	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.0330	0.211	2	120.0330	0.044	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCO)	119.1930	0.000	1	119.1930	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.3170	0.000	1	118.3170	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCC)	117.7270	0.000	1	117.7270	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a]2)(CCH)	118.8110	0.000	1	118.8110	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCO)	115.4910	0.000	1	118.6200	8.340	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(CCO)	119.1860	0.000	1	118.6200	8.340	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CCO)	121.1830	0.000	1	118.6200	8.340	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]C)	118.6250	0.000	1	118.6250	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]O)	120.6508	2.891	6	120.1296	6.285	12	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]O)	120.4550	0.000	1	120.1296	6.285	12	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.4390	2.410	5	120.1296	6.285	12	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(COO)	118.2340	0.256	2	118.2340	0.066	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(COS)	122.7655	0.132	4	122.7655	0.017	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	118.8075	0.206	2	118.8075	0.042	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CCO)	120.1870	0.000	1	120.1870	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	119.0537	1.026	3	120.0089	1.699	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	118.4670	0.000	1	120.0089	1.699	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	118.0500	0.000	1	120.0089	1.699	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	120.8047	0.780	8	120.0089	1.699	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[5,5,6]O)	118.4860	0.000	1	118.4860	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6]O)	123.9117	0.403	3	123.9117	0.162	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	120.2769	1.763	12	120.2592	2.852	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	120.0460	0.000	1	120.2592	2.852	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CHH)	125.4160	0.000	1	125.4160	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CCO)	122.6310	1.513	2	122.6310	2.290	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCC)	123.9570	0.000	1	123.9570	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCH)	124.7760	0.000	2	124.7760	0.000	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	119.8420	0.000	1	119.5772	1.610	21	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	119.7880	0.488	5	119.5772	1.610	21	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	119.1535	0.750	2	119.5772	1.610	21	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	119.6413	1.747	10	119.5772	1.610	21	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	119.2067	1.032	3	119.5772	1.610	21	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6]O)	122.1750	0.098	2	122.1750	0.010	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	119.3888	0.282	4	118.9914	1.026	9	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	117.7240	1.921	2	118.9914	1.026	9	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.3067	0.261	3	118.9914	1.026	9	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CNO)	119.3895	0.320	2	119.3895	0.103	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	119.2710	0.000	1	119.2710	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CNO)	119.0460	0.000	1	119.0460	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	115.2590	0.000	1	115.2590	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CCC)	116.7943	0.444	4	116.7943	0.197	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CCH)	117.1845	0.264	2	117.1845	0.070	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CCC)	118.4850	0.000	1	118.4850	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CCO)	118.1325	0.100	2	118.1325	0.010	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.1665	0.864	6	119.1665	0.747	6	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[5]O)	117.6430	0.231	3	117.6430	0.053	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]O)	117.3745	0.506	2	117.3745	0.256	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	120.4610	0.000	1	120.4610	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	O(C[6a]C[6a]2)(CNO)	118.2808	0.967	4	118.2808	0.935	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCH)	116.0070	0.000	1	119.4257	21.337	7	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCH)	119.3685	7.578	2	119.4257	21.337	7	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCH)	120.3090	4.312	4	119.4257	21.337	7	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	117.9365	2.691	2	118.5876	1.508	16	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCO)	120.0090	0.000	1	118.5876	1.508	16	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	117.9942	0.890	4	118.5876	1.508	16	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	118.4310	0.000	1	118.5876	1.508	16	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	118.1810	0.000	1	118.5876	1.508	16	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	118.1050	0.000	1	118.5876	1.508	16	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	119.6017	0.343	3	118.5876	1.508	16	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	120.4370	0.000	1	118.5876	1.508	16	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	117.7915	0.537	2	118.5876	1.508	16	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]H)	124.9180	0.000	1	124.9180	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.2948	3.469	5	117.5589	4.798	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]O)	117.5350	0.000	1	117.5589	4.798	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.4330	0.000	1	117.5589	4.798	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.0300	0.000	1	117.5589	4.798	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.0680	0.667	3	117.5589	4.798	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	116.2950	1.298	2	117.5589	4.798	13	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	117.8165	0.863	2	117.8165	0.745	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	114.7750	0.000	1	114.7750	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	119.4160	0.000	1	119.4160	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]O)	118.8480	0.922	2	118.8480	0.850	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.9900	1.598	2	119.3820	4.428	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.8870	0.000	1	119.3820	4.428	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	119.0215	3.511	2	119.3820	4.428	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	122.5690	0.000	1	122.5690	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCH)	120.0290	3.226	2	120.0290	10.406	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	115.1320	0.000	1	115.1320	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	120.1490	0.000	1	120.1490	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.4050	0.404	2	117.4050	0.164	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	121.7180	0.000	1	121.7180	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(COO)	118.1495	3.747	2	118.1495	14.040	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CBO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CBO)	119.4930	0.725	2	119.4930	0.526	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CB[5a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CB[5a]O)	118.8580	1.871	4	118.8580	3.499	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCC)	119.2013	1.896	6	119.5691	10.937	30	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCC)	120.4945	1.579	2	119.5691	10.937	30	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCC)	120.1135	5.129	4	119.5691	10.937	30	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCC)	119.5303	3.813	14	119.5691	10.937	30	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCC)	119.2075	1.682	2	119.5691	10.937	30	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCC)	119.2915	4.670	2	119.5691	10.937	30	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCF)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCF)	118.8465	5.304	2	119.0774	16.532	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCF)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCF)	119.0560	4.156	4	119.0774	16.532	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCF)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCF)	119.3510	5.959	2	119.0774	16.532	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCH)	122.7170	0.000	1	120.4638	11.991	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCH)	120.5540	2.956	2	120.4638	11.991	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCH)	119.2470	5.583	2	120.4638	11.991	5	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCN)	119.0155	2.681	2	119.0155	7.186	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCO)	117.6860	0.000	1	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	119.3100	0.604	4	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	118.1175	1.505	2	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	122.7160	0.000	1	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	118.5440	0.000	1	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCO)	118.4910	0.000	1	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	116.7720	0.468	2	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	118.3920	0.414	2	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	119.2436	1.717	45	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	119.1230	1.399	2	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCO)	118.7440	2.090	2	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCO)	119.0178	2.281	25	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	119.2478	1.532	20	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<3>}	O(C[6a]C[6a]2)(CCO)	118.8975	1.421	2	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CCO)	120.0820	3.878	2	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	119.1264	2.224	40	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	119.1884	2.146	91	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	118.7250	0.965	3	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	117.3460	0.000	1	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|Re<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	120.5090	0.000	1	119.1392	3.947	248	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3,3,5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[3,3,5]O)	118.5877	1.727	4	118.5877	2.981	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[3]O)	118.7125	2.159	2	118.7125	4.660	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[4]H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[4]H)	119.4085	5.911	2	119.4085	34.936	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[4]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[4]O)	118.7870	1.376	2	118.7870	1.893	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[5,5,6]O)	119.1685	2.302	2	119.1685	5.298	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]O)	121.0335	2.375	2	118.9850	2.152	40	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CC[5]O)	119.0445	1.449	2	118.9850	2.152	40	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[5]O)	118.9437	2.696	4	118.9850	2.152	40	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[5]O)	119.4150	3.902	2	118.9850	2.152	40	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]O)	118.7834	1.071	26	118.9850	2.152	40	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5]O)	119.1645	0.532	2	118.9850	2.152	40	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5]O)	118.9700	0.570	2	118.9850	2.152	40	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]O)	119.9505	0.371	2	119.4176	2.783	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[5a]O)	119.2460	3.555	2	119.4176	2.783	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]O)	119.2370	1.407	4	119.4176	2.783	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6]H)	120.0115	8.192	2	120.0115	67.106	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	123.7310	0.000	1	118.8527	2.952	47	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	117.1650	0.000	1	118.8527	2.952	47	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	118.8035	0.585	2	118.8527	2.952	47	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	118.9455	0.689	2	118.8527	2.952	47	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	118.7765	0.697	2	118.8527	2.952	47	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6]O)	118.8315	1.005	2	118.8527	2.952	47	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6]O)	118.4965	2.063	2	118.8527	2.952	47	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6]O)	119.3540	4.996	2	118.8527	2.952	47	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	118.7648	1.650	29	118.8527	2.952	47	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	118.5770	0.346	2	118.8527	2.952	47	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6]O)	118.7180	0.198	2	118.8527	2.952	47	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]C)	119.3690	5.746	2	119.2423	6.237	12	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]C)	119.4880	3.282	2	119.2423	6.237	12	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]C)	118.8757	0.877	6	119.2423	6.237	12	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]C)	119.9700	4.353	2	119.2423	6.237	12	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]H)	115.0410	0.000	1	115.0410	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]N)	118.4840	2.749	2	118.4840	7.558	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.0770	4.054	5	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]O)	119.8430	0.000	1	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.4850	0.000	1	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	119.5770	0.000	1	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.8070	0.922	2	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.8630	0.000	1	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	120.2560	0.000	1	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.8600	0.000	1	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	119.0557	2.300	18	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	119.3400	4.332	4	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	119.3281	1.557	30	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.7156	2.320	8	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CC[6a]O)	119.2520	1.903	22	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]O)	119.2300	8.584	2	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.1264	2.939	20	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	119.1270	1.888	28	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CC[6a]O)	119.2740	5.251	2	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CC[6a]O)	118.8925	2.687	12	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.8674	1.487	32	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	119.1494	2.840	20	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.0659	2.337	46	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.5575	1.405	2	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.6120	0.000	1	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.8167	1.185	3	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	122.7750	0.823	2	119.1761	5.185	265	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CHH)	119.3500	3.724	2	119.1228	115.896	9	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHH)	114.1730	0.000	1	119.1228	115.896	9	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CHH)	120.3110	4.984	4	119.1228	115.896	9	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHH)	118.9942	28.434	2	119.1228	115.896	9	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CMoS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CMoS)	118.1270	2.794	2	118.1270	7.809	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNN)	121.1990	0.000	1	119.6787	4.187	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNN)	118.9185	2.215	2	119.6787	4.187	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CNO)	120.7230	0.740	4	119.1704	5.036	76	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	121.1490	0.047	2	119.1704	5.036	76	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	117.0880	0.000	1	119.1704	5.036	76	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	118.4070	0.990	2	119.1704	5.036	76	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CNO)	119.1850	2.534	4	119.1704	5.036	76	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CNO)	119.1445	2.559	6	119.1704	5.036	76	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CNO)	118.8763	2.916	6	119.1704	5.036	76	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CNO)	119.2792	2.765	6	119.1704	5.036	76	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	119.0698	1.517	36	119.1704	5.036	76	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CNO)	119.1760	4.120	6	119.1704	5.036	76	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CNO)	119.6015	6.766	2	119.1704	5.036	76	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	116.5510	0.000	1	119.1704	5.036	76	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNP)	118.8375	0.822	2	118.8375	0.676	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CNS)	118.7360	0.068	2	118.7578	1.072	26	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CNS)	119.0037	1.752	6	118.7578	1.072	26	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CNS)	118.8870	1.013	4	118.7578	1.072	26	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CNS)	118.4370	1.038	2	118.7578	1.072	26	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CNS)	119.2405	0.343	2	118.7578	1.072	26	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNS)	118.4010	0.702	8	118.7578	1.072	26	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CNS)	119.0485	1.200	2	118.7578	1.072	26	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[5,6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CN[5,6]O)	118.6740	1.605	2	118.6740	2.576	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CN[5]O)	118.4907	1.566	4	118.8405	1.483	10	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CN[5]O)	119.0737	1.018	6	118.8405	1.483	10	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[5a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CN[5a]O)	118.7241	1.339	8	118.7241	1.793	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[5a]S)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CN[5a]S)	118.8525	2.519	2	118.8525	6.347	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[6,6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CN[6,6]O)	119.2035	2.374	8	119.2857	4.583	10	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[6,6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CN[6,6]O)	119.6145	1.230	2	119.2857	4.583	10	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CN[6]O)	118.9138	2.715	28	118.9138	7.372	28	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(COO)	118.7305	3.392	2	118.6870	5.856	57	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(COO)	115.8210	0.000	1	118.6870	5.856	57	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(COO)	118.6805	0.525	2	118.6870	5.856	57	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(COO)	118.7482	1.580	4	118.6870	5.856	57	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(COO)	118.7669	2.657	22	118.6870	5.856	57	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(COO)	118.6829	2.499	24	118.6870	5.856	57	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(COO)	119.1315	2.842	2	118.6870	5.856	57	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(COS)	118.7828	1.160	8	118.7828	1.345	8	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	119.9500	0.000	1	119.9500	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CHH)	119.5000	3.892	2	121.1900	16.142	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHH)	124.5700	0.000	1	121.1900	16.142	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNN)	117.0600	0.000	1	117.0600	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.0590	0.000	1	118.0590	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.2525	5.928	2	120.2525	35.137	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCH)	119.5625	0.501	2	119.5625	0.251	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	119.8080	2.650	2	118.9516	4.541	28	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	118.4840	0.000	1	118.9516	4.541	28	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCO)	118.3670	0.000	1	118.9516	4.541	28	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	121.0780	0.245	2	118.9516	4.541	28	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	118.6004	2.283	20	118.9516	4.541	28	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	120.0070	0.880	2	118.9516	4.541	28	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]O)	117.2500	2.714	2	117.2500	7.365	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	118.2695	4.726	6	118.2695	22.333	6	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	117.3650	0.000	1	118.1637	2.746	6	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.9550	0.000	1	118.1637	2.746	6	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	118.1405	2.487	2	118.1637	2.746	6	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.1905	2.505	2	118.1637	2.746	6	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	118.3060	1.389	2	118.8037	5.693	44	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	118.8274	2.431	42	118.8037	5.693	44	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CNS)	117.7970	0.539	2	117.9467	0.171	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNS)	118.0965	0.363	2	117.9467	0.171	4	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(COO)	120.6770	0.000	1	120.6770	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Re)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|Re<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Re)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	119.4350	0.000	1	119.4350	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CIrC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CIrC)	118.4270	0.000	1	118.4270	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Mn)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Mn)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Mn<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	117.7550	0.000	1	117.7550	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]O)	116.8830	0.000	1	116.8830	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCO)	120.4340	1.383	2	120.4340	1.913	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.9100	2.578	2	119.9100	6.647	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]O)	121.8130	0.202	2	121.8130	0.041	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCO)	120.5970	0.000	1	120.5970	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.9790	0.000	1	118.9790	0.000	1	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CCO)	122.4143	0.818	3	122.4143	0.669	3	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(COsC)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Os<7>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(COsC)	117.9735	0.336	2	117.9735	0.113	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CNS)	111.4165	0.530	2	111.4165	0.281	2	118.9886	5.599	1591	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[3]-3:	C[6a](C[6a]C[6a]H)2(OC[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[3]C[3]2)	C[6a](C[6a]C[6a]H)2(OC[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[3]C[3]2)	118.7940	5.612	2	118.7940	31.490	2	118.7940	31.490	2	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(C[5]C[5]2)	118.7368	3.531	8	118.7368	12.468	8	118.7368	12.468	8	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2)	117.7750	0.000	1	117.7750	0.000	1	118.9295	6.464	20	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2)	114.9970	0.000	1	114.9970	0.000	1	118.9295	6.464	20	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(C[6]C[6]2)	118.6500	0.000	1	118.6500	0.000	1	118.9295	6.464	20	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2)	120.2530	0.000	1	120.2530	0.000	1	118.9295	6.464	20	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2)	117.1470	0.000	1	118.9910	6.043	13	118.9295	6.464	20	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(C[6]C[6]2)	119.1548	0.678	6	118.9910	6.043	13	118.9295	6.464	20	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2)	119.1345	3.648	6	118.9910	6.043	13	118.9295	6.464	20	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]N[6]2)	118.9735	4.655	2	118.9735	21.668	2	118.9295	6.464	20	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(C[6]C[6]2)	122.0860	0.000	1	122.0860	0.000	1	118.9295	6.464	20	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	121.9570	0.000	1	119.7808	9.933	10	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	123.3630	0.000	1	119.7808	9.933	10	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	122.2220	0.000	1	119.7808	9.933	10	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	118.6094	3.062	7	119.7808	9.933	10	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	119.2000	0.703	2	119.2000	0.494	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.7420	0.000	1	120.7420	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]Pd)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]Pd)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,2|C<3>}	O(C[6a]C[6a]2)2	111.1780	1.231	4	111.1780	1.515	4	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]Pt)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]Pt)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|Pt<4>,2|C<3>}	O(C[6a]C[6a]2)2	111.4992	0.674	5	111.4992	0.455	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	118.0620	0.000	1	118.0620	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	120.0850	0.000	1	118.6679	1.493	7	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	117.8067	0.789	4	118.6679	1.493	7	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	119.6815	0.251	2	118.6679	1.493	7	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.4030	0.000	1	117.4030	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	121.8950	2.182	5	121.8950	4.762	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC[6a]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	116.9600	0.000	1	116.9600	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	122.6573	3.266	3	121.1640	15.315	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	118.9240	4.817	2	121.1640	15.315	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.0830	5.343	2	119.0830	28.547	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)2	113.8815	0.404	2	118.3460	9.572	7	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)2	120.1318	0.605	5	118.3460	9.572	7	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)2	116.5516	2.185	16	116.5516	4.776	16	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.9620	1.515	2	115.9620	2.294	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.0580	0.000	1	118.0580	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	115.2919	3.985	7	115.2919	15.880	7	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	122.2860	0.611	2	117.9306	11.511	12	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	117.0595	2.995	10	117.9306	11.511	12	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.1345	0.271	2	120.1345	0.073	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)2	115.8620	0.000	1	115.8620	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|S<4>,2|C<3>}	O(C[6a]C[6a]2)2	120.9995	0.272	2	120.9995	0.074	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|S<4>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.6910	0.000	1	118.6910	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)2	118.1360	0.000	1	117.8216	5.269	19	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	117.1330	2.608	4	117.8216	5.269	19	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	119.4090	0.000	1	117.8216	5.269	19	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	117.8872	2.413	13	117.8216	5.269	19	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.5100	0.000	1	118.5100	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Bi<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	121.1730	0.054	2	121.1730	0.003	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.7545	0.067	2	119.2032	1.537	8	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.3528	1.429	6	119.2032	1.537	8	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)2	118.7480	0.000	1	122.3529	5.543	7	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)2	122.9537	1.903	6	122.3529	5.543	7	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|S<2>}	O(C[6a]C[6a]2)2	124.0530	0.000	1	118.7029	4.819	15	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	119.2407	1.705	3	118.7029	4.819	15	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)2	117.8052	1.238	6	118.7029	4.819	15	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	119.9520	3.285	2	118.7029	4.819	15	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	117.3447	0.325	3	118.7029	4.819	15	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.6442	1.678	10	119.6442	2.815	10	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	117.3360	0.000	1	117.3360	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	120.9050	0.000	1	120.9050	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	124.1750	0.000	1	121.6933	4.841	3	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	120.4525	0.667	2	121.6933	4.841	3	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	120.8640	0.000	1	118.1986	4.013	19	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.8135	2.386	2	118.1986	4.013	19	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	117.3930	0.000	1	118.1986	4.013	19	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	116.4616	1.052	8	118.1986	4.013	19	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.3488	0.770	6	118.1986	4.013	19	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	122.1030	0.000	1	118.1986	4.013	19	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	124.1538	0.633	12	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)2	122.6770	1.856	4	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	117.1450	0.000	1	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	125.1980	0.000	1	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	122.6165	2.251	2	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)2	117.1480	0.000	1	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	123.2662	1.996	4	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	119.3498	2.010	13	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)2	118.6370	0.000	1	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)2	121.9390	0.000	1	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)2	117.9947	1.197	3	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)2	118.0009	0.704	9	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	119.7370	2.999	51	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)2	118.1290	0.000	1	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	122.4018	2.012	5	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	119.4750	0.000	1	120.3878	8.873	110	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.4700	0.000	1	118.1227	4.743	3	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.9490	3.050	2	118.1227	4.743	3	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.2285	3.741	2	118.2285	13.997	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	122.8000	0.000	1	122.8000	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){2|C<3>}	O(C[6a]C[6a]2)2	120.4370	0.000	1	122.3530	2.159	4	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){2|C<3>}	O(C[6a]C[6a]2)2	122.9917	0.889	3	122.3530	2.159	4	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	117.6470	0.000	1	119.3253	1.876	16	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)2	119.1709	0.325	7	119.3253	1.876	16	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	119.7015	1.631	4	119.3253	1.876	16	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	117.1800	0.000	1	119.3253	1.876	16	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	118.2240	0.000	1	119.3253	1.876	16	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)2	121.5760	0.180	2	119.3253	1.876	16	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.9607	0.587	7	118.9607	0.345	7	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	117.8245	0.118	2	117.8245	0.014	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)2	117.0307	1.049	3	119.6578	13.502	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)2	123.5985	0.211	2	119.6578	13.502	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	116.9850	1.620	3	117.7720	5.003	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	116.9600	0.387	2	117.7720	5.003	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	112.8550	0.000	1	117.7720	5.003	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	119.5524	0.597	5	117.7720	5.003	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	118.6310	0.000	1	115.0975	24.971	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	111.5640	0.000	1	115.0975	24.971	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<2>,1|C<3>}	O(C[6a]C[6a]2)2	123.7772	0.460	4	123.7772	0.212	4	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)2	121.7195	2.903	2	121.2265	4.848	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)2	120.9310	0.000	1	121.2265	4.848	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	120.0230	0.000	1	121.2265	4.848	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a]2)2	119.7110	0.000	1	121.2265	4.848	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)2	122.2787	2.377	3	121.2265	4.848	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)2	121.6080	4.154	2	121.2265	4.848	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	119.3360	0.000	1	121.2265	4.848	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.7095	0.166	2	120.7095	0.028	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|S<2>}	O(C[6a]C[6a]2)2	120.8625	1.355	4	120.2882	3.026	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)2	117.9910	0.000	1	120.2882	3.026	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)2	121.7713	2.449	10	121.7713	5.997	10	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)2	121.9352	2.131	5	121.8519	5.258	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)2	118.9230	0.000	1	121.8519	5.258	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)2	122.3544	2.477	5	121.8519	5.258	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	122.1230	0.000	1	122.1230	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	120.5360	1.502	2	120.5360	2.256	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|N<3>}	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	121.3110	0.000	1	121.3110	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)2	122.8887	2.841	3	122.0340	8.301	4	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)2	119.4700	0.000	1	122.0340	8.301	4	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|N<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.2170	0.000	1	120.2170	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)2	117.6780	0.000	1	117.6780	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	117.9035	0.947	2	117.9035	0.896	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.5890	0.000	1	116.5890	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)2	123.8480	0.963	2	123.8480	0.928	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	117.1740	2.548	2	117.1740	6.494	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	122.1330	0.000	1	120.8027	9.444	76	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)2	120.5660	0.000	1	120.8027	9.444	76	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)2	119.8917	2.549	18	120.8027	9.444	76	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	120.7820	3.290	49	120.8027	9.444	76	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)2	124.0890	1.270	3	120.8027	9.444	76	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)2	123.5745	0.848	2	120.8027	9.444	76	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)2	119.0870	0.000	1	120.8027	9.444	76	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)2	123.4360	0.000	1	120.8027	9.444	76	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.9640	0.000	1	117.9248	0.292	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.1650	0.065	4	117.9248	0.292	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	118.7520	0.000	1	118.7520	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	123.6700	2.269	4	123.6700	5.150	4	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)2	121.9183	1.308	65	121.9183	1.712	65	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	123.5820	1.843	2	123.5820	3.396	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	122.0890	3.048	2	122.0890	9.288	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.0236	0.725	12	119.0236	0.525	12	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)2	123.5538	2.076	25	122.9073	4.618	42	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)2	119.9607	0.769	6	122.9073	4.618	42	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	123.3230	0.951	8	122.9073	4.618	42	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	124.2850	0.000	1	122.9073	4.618	42	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	119.6330	0.000	1	122.9073	4.618	42	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	122.9950	0.000	1	122.9073	4.618	42	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	118.5700	0.000	1	118.5700	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	117.9850	0.000	1	118.7775	1.256	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.5700	0.000	1	118.7775	1.256	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	121.0860	0.000	1	121.0860	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	119.8852	1.139	16	121.5197	5.578	50	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)2	120.0500	0.081	2	121.5197	5.578	50	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	120.9916	2.235	14	121.5197	5.578	50	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)2	119.7170	0.000	1	121.5197	5.578	50	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	124.6490	0.000	1	121.5197	5.578	50	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	123.7172	1.783	16	121.5197	5.578	50	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.4158	0.798	4	118.9166	0.402	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.6314	0.301	7	118.9166	0.402	11	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)2	120.4515	0.296	2	120.5244	4.709	213	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|P<4>}	O(C[6a]C[6a]2)2	120.8090	3.702	2	120.5244	4.709	213	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<3>}	O(C[6a]C[6a]2)2	120.4447	2.112	4	120.5244	4.709	213	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)2	120.5166	2.185	204	120.5244	4.709	213	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|P<4>,2|C<3>}	O(C[6a]C[6a]2)2	122.0120	0.000	1	120.5244	4.709	213	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)2	120.7950	0.407	2	120.7950	0.166	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|S<2>}	O(C[6a]C[6a]2)2	122.9510	0.000	1	122.9510	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.9330	0.000	1	119.9330	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|S<4>}	O(C[6a]C[6a]2)2	124.5620	0.034	2	122.0167	4.279	9	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)2	118.6760	0.000	1	122.0167	4.279	9	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)2	121.7250	1.386	6	122.0167	4.279	9	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.9310	0.000	1	119.9310	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|H<1>}	O(C[6a]C[6a]2)2	119.8345	2.722	4	119.8345	7.408	4	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	122.4040	0.000	1	122.4040	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)2	123.1535	0.641	2	123.1535	0.411	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)2	121.0825	2.545	2	121.0825	6.476	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|N<2>}	O(C[6a]C[6a]2)2	119.2260	0.000	1	119.2260	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.5795	0.408	2	117.5795	0.166	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	117.9290	0.363	2	117.9290	0.132	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	116.8542	2.864	5	116.8542	8.200	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	120.6920	0.000	1	118.7531	2.309	19	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.6306	2.043	8	118.7531	2.309	19	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.6571	0.965	10	118.7531	2.309	19	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	119.4255	4.201	54	119.1917	12.520	106	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	122.7860	0.000	1	119.1917	12.520	106	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.0286	2.985	10	119.1917	12.520	106	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.7152	0.490	4	119.1917	12.520	106	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.9535	6.506	2	119.1917	12.520	106	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	119.5385	0.023	2	119.1917	12.520	106	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	121.1420	0.000	1	119.1917	12.520	106	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	114.7160	0.000	1	119.1917	12.520	106	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	115.8817	0.544	6	119.1917	12.520	106	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	119.9467	2.102	6	119.1917	12.520	106	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	120.5240	1.279	3	119.1917	12.520	106	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.1271	2.736	16	119.1917	12.520	106	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.4980	2.374	2	118.3575	7.098	26	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.2120	1.686	2	118.3575	7.098	26	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.5675	2.734	16	118.3575	7.098	26	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.1327	2.937	6	118.3575	7.098	26	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.8990	0.174	2	118.8990	0.030	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)2	117.1970	0.000	1	119.1670	4.349	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)2	119.6595	2.045	4	119.1670	4.349	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.6430	0.000	1	115.8880	1.140	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	115.1330	0.000	1	115.8880	1.140	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.8850	0.000	1	117.8850	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	114.2190	0.000	1	117.3041	5.676	8	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	118.0700	2.180	5	117.3041	5.676	8	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.9320	2.828	2	117.3041	5.676	8	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	119.6170	2.501	8	119.6170	6.254	8	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	119.6180	3.100	8	119.6180	9.611	8	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	119.4673	4.458	8	119.4673	19.878	8	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	121.9434	3.250	5	119.6132	6.612	36	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.4795	0.568	2	119.6132	6.612	36	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	123.9520	0.000	1	119.6132	6.612	36	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.7785	2.440	2	119.6132	6.612	36	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.6225	3.408	2	119.6132	6.612	36	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.5870	0.263	2	119.6132	6.612	36	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.0835	0.541	4	119.6132	6.612	36	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.8855	3.432	2	119.6132	6.612	36	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.2103	2.606	16	119.6132	6.612	36	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	119.3190	0.383	2	119.3190	0.147	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	117.2800	0.000	1	118.7542	4.789	208	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.4857	2.695	3	118.7542	4.789	208	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.2416	1.676	52	118.7542	4.789	208	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.0373	2.495	8	118.7542	4.789	208	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.7725	0.265	2	118.7542	4.789	208	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.0566	1.718	12	118.7542	4.789	208	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.6975	1.513	4	118.7542	4.789	208	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.7993	2.029	38	118.7542	4.789	208	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.3500	2.036	20	118.7542	4.789	208	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.4327	0.569	4	118.7542	4.789	208	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.9308	3.160	38	118.7542	4.789	208	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.9037	1.951	12	118.7542	4.789	208	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.9248	2.478	14	118.7542	4.789	208	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	119.6190	4.113	54	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	116.5605	0.081	2	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.7615	2.706	11	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	126.3000	0.000	1	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	120.8440	1.871	5	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	121.2675	3.464	2	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	113.7690	0.277	2	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	120.2890	3.053	4	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	118.9960	0.000	1	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.9664	2.599	22	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	116.5243	0.722	3	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	119.5424	4.242	18	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	119.2221	3.786	44	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	119.5309	2.883	72	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)2	119.3117	2.765	10	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)2	119.5687	2.899	26	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	119.6178	2.630	199	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)2	119.5937	2.974	18	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	119.5876	2.726	208	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)2	119.3410	2.956	8	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)2	119.4537	3.725	30	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.3953	3.142	328	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	119.3831	2.519	12	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	119.4642	3.248	200	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	123.7780	0.000	1	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	124.2150	0.000	1	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	122.9317	1.083	6	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	119.1947	1.893	6	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	120.7546	4.182	5	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	115.7700	0.000	1	119.5244	9.466	1300	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.2905	1.628	2	119.1535	6.132	115	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.4315	1.672	2	119.1535	6.132	115	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.2030	0.000	1	119.1535	6.132	115	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.3050	0.000	1	119.1535	6.132	115	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.2400	0.134	2	119.1535	6.132	115	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.3563	2.285	9	119.1535	6.132	115	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.4872	3.274	18	119.1535	6.132	115	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.1945	3.337	2	119.1535	6.132	115	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.1565	1.283	30	119.1535	6.132	115	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.0103	2.147	18	119.1535	6.132	115	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.3252	3.436	27	119.1535	6.132	115	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.6430	0.000	1	119.1535	6.132	115	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.2730	0.120	2	119.1535	6.132	115	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]O[6a])(C[6a]C[6a]2)	119.0225	2.935	2	119.0225	8.615	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	117.4444	3.729	5	117.4444	13.908	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.5393	2.638	3	119.5393	6.957	3	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	124.6945	0.252	2	119.7940	32.239	4	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	114.8935	0.771	2	119.7940	32.239	4	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	122.6790	0.000	1	119.2135	6.500	4	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.5820	0.000	1	119.2135	6.500	4	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.2965	0.064	2	119.2135	6.500	4	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	121.3630	0.243	2	121.3630	0.059	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|O<2>,1|S<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	117.5855	0.145	2	117.5855	0.021	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	119.2379	3.864	7	119.2379	14.930	7	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	121.3836	4.144	7	121.3836	17.170	7	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	121.7250	0.000	1	121.7250	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	117.3890	0.000	1	117.3890	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	114.8830	0.000	1	114.8830	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.9655	0.685	2	118.6330	2.816	100	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.7894	1.543	52	118.6330	2.816	100	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|O<2>,1|S<4>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.2070	0.399	2	118.6330	2.816	100	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.3867	2.040	35	118.6330	2.816	100	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.4860	1.160	9	118.6330	2.816	100	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.4393	0.536	4	118.5197	8.117	74	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	119.0700	0.000	1	118.5197	8.117	74	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.9292	2.695	22	118.5197	8.117	74	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	122.3985	0.517	2	118.5197	8.117	74	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.7370	3.159	37	118.5197	8.117	74	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.6780	1.377	4	118.5197	8.117	74	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	119.6033	2.300	4	118.5197	8.117	74	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.8047	2.957	16	118.8374	5.143	81	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.2076	2.222	9	118.8374	5.143	81	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.6146	1.964	50	118.8374	5.143	81	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.2265	2.703	6	118.8374	5.143	81	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	123.3120	0.000	1	123.3120	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	117.1907	1.490	4	117.1907	2.220	4	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	118.6510	0.059	2	118.6510	0.004	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	118.6440	1.349	3	118.6440	1.820	3	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	115.1828	1.436	9	119.5599	15.875	24	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	117.5155	0.643	2	119.5599	15.875	24	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	122.2265	1.602	4	119.5599	15.875	24	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	123.2061	1.205	9	119.5599	15.875	24	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	117.6095	0.746	2	117.6095	0.557	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	120.7030	4.431	2	120.3980	10.095	3	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	119.7880	0.000	1	120.3980	10.095	3	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	116.8830	0.000	1	116.0610	1.351	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	115.2390	0.000	1	116.0610	1.351	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	119.4280	0.000	1	119.4280	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	117.4694	0.932	16	117.4694	0.869	16	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	110.9840	0.000	1	115.4623	24.955	3	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	120.8500	0.000	1	115.4623	24.955	3	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	114.5530	0.000	1	115.4623	24.955	3	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	115.1360	0.010	2	114.0984	1.022	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	113.4067	0.500	3	114.0984	1.022	5	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Te<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	116.0170	0.201	2	116.0170	0.040	2	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	112.3640	0.000	1	112.3640	0.000	1	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	120.5454	0.486	15	120.5454	0.236	15	119.5446	8.642	3156	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ge[6]-3:	C[6a](C[6a]C[6a]H)2(OGe[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(Ge[6]N[6]2)	C[6a](C[6a]C[6a]H)2(OGe[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(Ge[6]N[6]2)	120.2440	0.000	1	120.2440	0.000	1	120.2440	0.000	1	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:In-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OIn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(InCC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OIn){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(InCC)	116.5180	0.000	1	116.5180	0.000	1	116.5180	0.000	1	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(ON){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(NCH)	122.1850	0.000	1	122.1850	0.000	1	117.6923	9.667	4	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(NCC)	115.0420	0.000	1	115.0420	0.000	1	117.6923	9.667	4	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NRhC)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Rh<7>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(NRhC)	116.7710	0.308	2	116.7710	0.095	2	117.6923	9.667	4	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]2)	120.4040	0.000	1	120.4040	0.000	1	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PN[6]O)	119.2650	0.068	2	119.2650	0.005	2	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[5]N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PC[5]N)	121.9445	1.491	4	121.9445	2.223	4	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PNO)	117.3462	0.860	8	117.3462	0.740	8	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PN[5]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PN[5]O)	117.0062	0.637	4	117.0062	0.405	4	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PN[6]O)	117.4620	0.493	8	117.4620	0.243	8	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(POO)	119.0040	0.000	1	119.0040	0.000	1	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PClO)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(PClO)	115.5340	0.188	2	115.5340	0.035	2	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(PN[6]O)	116.0035	0.606	4	116.0035	0.367	4	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]O)	120.0615	0.267	2	120.0615	0.071	2	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PNO)	118.7405	0.342	2	118.8227	0.079	3	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PNO)	118.9870	0.000	1	118.8227	0.079	3	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(POO)	118.9846	1.164	5	118.9846	1.354	5	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PNO)	122.3260	0.000	1	122.3260	0.000	1	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]O)	119.7142	0.356	4	119.7142	0.127	4	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PCC)	122.5750	0.133	2	122.0345	0.409	4	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){3|C<3>}	O(C[6a]C[6a]2)(PCC)	121.4940	0.199	2	122.0345	0.409	4	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(POO)	119.8045	0.783	4	119.8045	0.613	4	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(PNO)	121.3185	1.889	4	121.3185	3.570	4	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]O)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]O)	120.1183	3.656	4	120.1183	13.366	4	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(POO)	119.3704	2.379	12	119.3704	5.662	12	119.0329	4.927	77	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OP[4]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(P[4]N[4]2)	122.7180	0.297	2	122.7180	0.088	2	119.7466	8.246	27	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(P[4]N[4]2)	119.7763	2.238	4	119.7763	5.010	4	119.7466	8.246	27	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(P[4]N[4]2)	112.9085	0.057	2	112.9085	0.003	2	119.7466	8.246	27	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<3>}	O(C[6a]C[6a]2)(P[4]N[4]2)	121.7810	0.813	5	121.7810	0.661	5	119.7466	8.246	27	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-3:	C[6a](C[6a]C[6a]H)2(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)2(OP[4]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[4]N[4]2)	120.2518	2.031	5	119.9490	5.317	9	119.7466	8.246	27	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-3:	C[6a](C[6a]C[6a]H)2(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)2(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(P[4]N[4]2)	119.5705	2.887	4	119.9490	5.317	9	119.7466	8.246	27	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-3:	C[6a](C[6a]C[6a]H)2(OP[4])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)2(OP[4]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[4]N[4]2)	118.8710	2.122	5	118.8710	4.504	5	119.7466	8.246	27	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]O[6]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(P[6]O[6]2)	119.1980	0.000	1	119.1980	0.000	1	119.1094	5.499	7	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]O[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(P[6]O[6]2)	118.0875	0.050	2	118.0875	0.003	2	119.1094	5.499	7	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-3:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2)	119.5982	3.159	4	119.5982	9.980	4	119.1094	5.499	7	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SOO)	120.8380	0.635	2	120.8380	0.403	2	119.2847	1.896	6	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SOO)	118.5080	0.783	4	118.5080	0.613	4	119.2847	1.896	6	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(I){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHH)	115.6385	0.217	2	115.6385	0.047	2	118.3783	3.122	11	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(I){3|C<3>}	O(C[6a]C[6a]2)(CNO)	120.0135	0.701	2	120.0135	0.491	2	118.3783	3.122	11	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]O)2(I)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(I){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCO)	118.2805	0.595	2	118.2805	0.354	2	118.3783	3.122	11	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	118.5860	0.000	1	118.5860	0.000	1	118.3783	3.122	11	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.9620	0.175	2	117.9620	0.031	2	118.3783	3.122	11	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]I)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]I)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CC[6a]O)	119.8930	2.222	2	119.8930	4.936	2	118.3783	3.122	11	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(I){3|C<3>}	O(C[6a]C[6a]2)(PN[6]O)	119.1025	0.675	2	119.1025	0.456	2	119.1025	0.456	2	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:P[4]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OP[4])	C[6a](C[6a]C[6a]O)2(I)	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OP[4]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(I){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[4]N[4]2)	117.9235	0.383	2	117.9235	0.146	2	117.9235	0.146	2	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|C<4>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CNO)	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	115.6280	0.000	1	115.6280	0.000	1	117.4157	2.424	3	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]O)2(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	O(C[6a]C[6a]2)2	C[6a](C[6a]N[6a]O)2(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)2	118.3095	0.234	2	118.3095	0.055	2	117.4157	2.424	3	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	N[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	122.2880	0.000	1	122.2880	0.000	1	122.2880	0.000	1	119.4043	7.710	5809	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	124.7210	0.119	3	125.5518	0.761	13	125.5518	0.761	13	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	126.2848	0.876	5	125.5518	0.761	13	125.5518	0.761	13	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	124.9450	0.000	1	125.5518	0.761	13	125.5518	0.761	13	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	124.9745	0.098	2	125.5518	0.761	13	125.5518	0.761	13	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	125.8465	0.234	2	125.5518	0.761	13	125.5518	0.761	13	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	122.4430	0.021	2	122.4430	0.000	2	120.6967	9.149	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(Br)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(OC){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.2040	0.000	1	117.2040	0.000	1	120.6967	9.149	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]F)(F)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(OC){1|F<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]F)(F){1|F<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.3220	0.000	1	118.3220	0.000	1	118.3220	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.2185	0.531	2	125.2185	0.282	2	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.9470	0.000	1	124.3088	2.739	6	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.9812	0.181	5	124.3088	2.739	6	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H){1|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.2340	0.000	1	125.2340	0.000	1	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.2030	0.000	1	123.2030	0.000	1	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CCHH)	126.1940	0.668	2	126.1940	0.446	2	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.6703	3.644	26	123.9281	11.895	30	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.6040	0.046	4	123.9281	11.895	30	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(H){3|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	123.8955	0.104	2	123.8955	0.011	2	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(H){3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.3760	0.000	1	123.3760	0.000	1	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.3153	0.533	4	123.3153	0.284	4	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(OC){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CC[6a]HH)	114.1540	0.000	1	114.1540	0.000	1	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(OC){1|Se<2>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(H){1|Se<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.8470	0.178	2	124.8470	0.032	2	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.4315	0.182	2	124.4315	0.033	2	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.8750	0.000	1	124.9166	0.332	13	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.4580	0.000	1	124.9166	0.332	13	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.4470	0.000	1	124.9166	0.332	13	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.5875	0.005	2	124.9166	0.332	13	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.4805	0.844	2	124.9166	0.332	13	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.3333	0.491	6	124.9166	0.332	13	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.5290	0.116	2	124.2445	0.398	22	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|N<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.7493	0.562	6	124.2445	0.398	22	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.9052	0.756	5	124.2445	0.398	22	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.7190	0.000	1	124.2445	0.398	22	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.7400	0.144	2	124.2445	0.398	22	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.6028	0.323	4	124.2445	0.398	22	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.8440	0.000	2	124.2445	0.398	22	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.6500	0.055	2	125.0207	2.056	10	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.1780	0.000	1	125.0207	2.056	10	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.3780	0.000	1	125.0207	2.056	10	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.0897	1.299	3	125.0207	2.056	10	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.2790	0.000	1	125.0207	2.056	10	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	126.9015	1.088	2	125.0207	2.056	10	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CHHO)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CHHO)	124.6280	0.284	2	124.6280	0.081	2	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.1690	0.387	2	123.9656	0.690	12	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.0800	0.836	5	123.9656	0.690	12	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,4|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.7130	0.000	1	123.9656	0.690	12	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.1140	0.000	1	123.9656	0.690	12	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.2235	0.117	2	123.9656	0.690	12	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){2|O<2>,4|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.5750	0.000	1	123.9656	0.690	12	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]O[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,4|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]O[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.5075	0.317	2	124.5075	0.101	2	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]Br)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.0255	0.115	2	125.0255	0.013	2	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CCHH)	125.6857	0.332	4	123.4415	12.191	6	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	118.9530	0.427	2	123.4415	12.191	6	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.7565	0.719	2	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.5503	0.322	3	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.8303	0.182	3	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.0290	0.000	1	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.2316	0.116	5	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.9870	0.000	1	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.0450	0.000	1	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.3350	0.000	1	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.0180	0.677	3	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	126.4960	1.021	2	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.6233	0.696	7	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.2180	0.000	1	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.4403	0.226	3	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.6314	0.521	5	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	126.3580	0.000	1	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.7350	0.161	2	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.5150	0.000	1	125.1823	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	124.6580	0.000	1	124.6580	0.000	1	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.8960	0.590	3	124.4355	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.7845	0.505	19	124.4355	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.7115	0.586	2	124.4355	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.1010	0.000	1	124.4355	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.1150	0.000	1	124.4355	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.7545	0.718	2	124.4355	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.4405	0.422	2	124.4355	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.3950	0.276	5	124.4355	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.1767	0.410	4	124.4355	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	121.7890	0.000	1	124.4355	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.5200	0.000	1	124.4355	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){2|O<2>,4|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.6780	0.000	1	124.4355	0.491	42	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.2410	0.000	1	124.1580	0.970	4	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.1303	1.204	3	124.1580	0.970	4	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CCHH)	126.5072	0.840	10	126.5072	0.706	10	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	126.1770	0.000	1	125.7088	0.373	5	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	126.5350	0.000	1	125.7088	0.373	5	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.2773	0.122	3	125.7088	0.373	5	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.8940	0.000	1	125.8940	0.000	1	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	126.1370	0.000	1	126.1370	0.000	1	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	127.1100	0.265	3	126.5700	0.295	9	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.9763	0.172	3	126.5700	0.295	9	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	126.4350	0.081	2	126.5700	0.295	9	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	127.0010	0.000	1	126.5700	0.295	9	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CCHH)	126.4200	1.595	3	126.4200	2.543	3	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	126.4700	0.302	3	126.3379	0.112	8	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	126.1215	0.219	4	126.3379	0.112	8	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	126.8070	0.000	1	126.3379	0.112	8	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	126.3100	0.000	1	125.8790	0.372	2	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.4480	0.000	1	125.8790	0.372	2	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(H){1|H<1>,1|P<4>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.1340	0.000	1	123.8635	0.146	2	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(H){1|H<1>,1|P<3>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.5930	0.000	1	123.8635	0.146	2	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.3690	0.000	1	124.3690	0.000	1	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<6>,1|H<1>,1|O<2>,4|B<6>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.4220	0.000	1	125.4220	0.000	1	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	127.1470	0.000	2	127.1470	0.000	2	124.7459	3.218	257	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H)	O(C[6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)	126.8610	0.000	1	126.8610	0.000	1	126.8610	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(PRhNO)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(PRhNO)	118.4832	1.081	6	118.4832	1.169	6	118.6963	0.597	12	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(PO3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(PO3)	118.8110	0.229	2	118.8110	0.052	2	118.6963	0.597	12	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(PRhNO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(PRhNO)	118.9588	0.176	4	118.9588	0.031	4	118.6963	0.597	12	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5,6a]C[6a])(SO3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OS){1|C<4>,2|C<3>,2|N<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(SO3)	124.7790	0.000	1	124.7790	0.000	1	122.6135	9.379	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(SC[6a]OO)	120.4480	0.000	1	120.4480	0.000	1	122.6135	9.379	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5,6a]C[6a])(SiC[6a]2C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OSi){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(SiC[6a]2C)	123.1200	0.000	1	123.1200	0.000	1	123.1200	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[5a,6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[5a,6a]O)(H){2|C<3>,4|C<4>}	O(C[6a]C[5a,6a]C[6a])(CH3)	125.8650	0.000	1	125.8650	0.000	1	125.9227	0.003	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[5a,6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[5a,6a]O)(H){2|C<3>,4|C<4>}	O(C[6a]C[5a,6a]C[6a])(CH3)	125.9515	0.023	2	125.9515	0.001	2	125.9227	0.003	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6])(Cl)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(OC){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6])(Cl){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	122.1370	0.000	1	122.1370	0.000	1	122.1370	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a,6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a,6a]H)(H){3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	122.9327	0.892	4	122.9327	0.795	4	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a,6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a,6a]H)(H){1|S<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	124.3195	0.264	4	124.3195	0.070	4	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CCCH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCCH)	124.0300	0.000	1	124.0300	0.000	1	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	125.7915	0.301	2	125.7915	0.090	2	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CC[3]HH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CC[3]HH)	124.8460	0.000	1	124.8460	0.000	1	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	123.2370	0.000	1	123.2370	0.000	1	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	123.8400	3.049	2	123.8400	9.297	2	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	124.9710	0.000	1	124.4525	0.538	2	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	123.9340	0.000	1	124.4525	0.538	2	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	125.3490	0.000	1	125.3490	0.000	1	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	123.1393	2.717	18	123.1393	7.382	18	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	125.6760	0.000	1	126.2223	0.244	3	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	126.4955	0.200	2	126.2223	0.244	3	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	126.9070	0.000	1	125.5950	1.431	15	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	126.6080	0.000	1	125.5950	1.431	15	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	125.2930	0.774	4	125.5950	1.431	15	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	123.8960	0.127	2	125.5950	1.431	15	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	124.1510	0.000	1	125.5950	1.431	15	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	124.3990	0.000	1	125.5950	1.431	15	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	126.2080	0.000	1	125.5950	1.431	15	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	125.9010	0.000	1	125.5950	1.431	15	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	126.8620	0.000	1	125.5950	1.431	15	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	126.9625	0.101	2	125.5950	1.431	15	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	123.3052	0.398	5	123.8036	1.431	12	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	125.5510	0.000	1	123.8036	1.431	12	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	125.6840	0.086	2	123.8036	1.431	12	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	122.5665	0.320	2	123.8036	1.431	12	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	123.5325	0.651	2	123.8036	1.431	12	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	126.0540	0.164	2	126.0540	0.027	2	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(CH3)	126.3340	0.000	1	126.3340	0.000	1	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	126.5730	0.340	3	126.5730	0.116	3	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|S<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	124.2760	0.000	1	124.9640	0.458	3	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	124.9870	0.000	1	124.9640	0.458	3	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	125.6290	0.000	1	124.9640	0.458	3	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6])(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6])(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	125.4780	0.000	1	125.4780	0.000	1	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|N<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	127.6840	0.000	1	127.6840	0.000	1	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(CH3)	124.9190	0.723	2	125.8798	0.980	6	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	125.7660	0.317	2	125.8798	0.980	6	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	126.9545	0.308	2	125.8798	0.980	6	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[5a,6a]C[6a])(CH3)	126.5243	0.945	3	126.5243	0.893	3	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CC[6a]2H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]2H)	127.9310	0.000	1	127.9310	0.000	1	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(CH3)	126.9290	0.000	1	126.6660	0.345	8	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(CH3)	125.6180	0.000	1	126.6660	0.345	8	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	126.7968	0.478	6	126.6660	0.345	8	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]Cl)(H)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,2|N<2>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	127.2380	0.864	2	127.2380	0.747	2	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	126.9300	0.000	1	126.9300	0.000	1	124.9297	3.885	98	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(C[5]C[5]2H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[5]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(C[5]C[5]2H)	115.9620	0.000	1	115.9620	0.000	1	115.9620	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)	125.6410	0.000	1	125.6410	0.000	1	125.6410	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(PC[6a]2O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OP){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[5a,6a]C[6a])(PC[6a]2O)	123.6310	0.000	1	123.6310	0.000	1	123.6310	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[5a,6a]C[6a])(SC[6a]OO)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OS){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(SC[6a]OO)	119.6680	0.000	1	119.6680	0.000	1	120.1655	0.495	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H)	O(C[6a]C[5a,6a]C[6a])(SC[6a]OO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OS){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H){1|C<2>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(SC[6a]OO)	120.6630	0.000	1	120.6630	0.000	1	120.1655	0.495	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(CCHH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(CCHH)	125.0250	0.000	1	123.5265	4.491	2	124.4082	1.599	16	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(CCHH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(CCHH)	122.0280	0.000	1	123.5265	4.491	2	124.4082	1.599	16	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(CC[6a]HH)	126.8500	0.000	1	126.8500	0.000	1	124.4082	1.599	16	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(CH3)	124.7120	0.000	1	124.5742	0.266	9	124.4082	1.599	16	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(CH3)	124.2015	0.468	4	124.5742	0.266	9	124.4082	1.599	16	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6,6a]C[6a])(CH3)	124.7025	0.507	2	124.5742	0.266	9	124.4082	1.599	16	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(CH3)	125.1225	0.062	2	124.5742	0.266	9	124.4082	1.599	16	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(CHHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(CHHO)	125.5990	0.000	1	123.5860	8.104	2	124.4082	1.599	16	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(CHHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(CHHO)	121.5730	0.000	1	123.5860	8.104	2	124.4082	1.599	16	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6,6a]C[6a])(CH3)	124.1440	0.018	2	124.1440	0.000	2	124.4082	1.599	16	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(PRhOO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OP){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6,6a]C[6a])(PRhOO)	119.1925	0.487	2	119.1925	0.237	2	119.1925	0.237	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OS){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6,6a]C[6a])(SC[6a]OO)	119.8740	0.625	6	119.8740	0.390	6	119.8740	0.390	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC){1|C<3>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.9830	0.000	1	125.5948	0.292	4	125.5948	0.292	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	125.3270	0.000	1	125.5948	0.292	4	125.5948	0.292	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	126.0345	0.211	2	125.5948	0.292	4	125.5948	0.292	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.0090	0.000	1	124.0090	0.000	1	124.0090	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.3140	0.000	1	123.3140	0.000	1	123.3140	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(Br)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.4600	0.000	1	119.4600	0.000	1	119.4600	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.9245	0.552	2	123.9245	0.305	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]O)(H){1|S<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.8540	0.000	1	123.8540	0.000	1	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.6500	0.000	1	123.4410	0.087	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.2320	0.000	1	123.4410	0.087	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.0510	0.000	1	123.0510	0.000	1	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.9800	0.000	1	123.9800	0.000	1	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.6730	0.000	1	123.7280	0.785	3	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.2555	0.480	2	123.7280	0.785	3	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.4640	0.000	1	124.7215	0.133	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.9790	0.000	1	124.7215	0.133	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[5a,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.7285	1.131	2	123.7285	1.278	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[5a,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)2(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)2(H){3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	123.3635	0.424	2	123.3635	0.179	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.6477	1.789	9	121.6477	3.201	9	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(CCHH)	123.7890	0.429	3	123.7890	0.184	3	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	125.2107	0.048	3	125.2912	0.028	4	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	125.5330	0.000	1	125.2912	0.028	4	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a,6a]C[5a,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H){3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	123.7505	0.193	2	123.7505	0.037	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.0270	0.000	1	123.0270	0.000	1	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.3310	0.000	1	123.3310	0.000	1	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.6882	0.646	4	123.3846	0.541	17	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.9520	0.000	1	123.3846	0.541	17	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.7457	0.438	11	123.3846	0.541	17	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.6300	0.000	1	123.3846	0.541	17	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.4170	0.000	1	124.5490	0.035	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.6810	0.000	1	124.5490	0.035	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	123.7720	0.000	1	123.7720	0.000	1	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.1620	0.000	1	123.6532	0.226	8	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.1010	0.417	2	123.6532	0.226	8	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.0710	0.000	1	123.6532	0.226	8	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.7440	0.000	1	123.6532	0.226	8	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.2350	0.000	1	123.6532	0.226	8	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.6670	0.000	1	123.6532	0.226	8	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.1450	0.000	1	123.6532	0.226	8	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.6190	0.000	1	122.8542	0.480	12	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.2670	0.892	2	122.8542	0.480	12	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.7224	0.811	5	122.8542	0.480	12	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.2850	0.257	2	122.8542	0.480	12	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.7290	0.000	1	122.8542	0.480	12	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){2|O<2>,4|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.1860	0.000	1	122.8542	0.480	12	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.7520	0.000	1	123.0593	1.046	12	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.2880	0.000	1	123.0593	1.046	12	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.0315	0.207	2	123.0593	1.046	12	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.0570	1.107	2	123.0593	1.046	12	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.2295	0.904	2	123.0593	1.046	12	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.4490	0.000	1	123.0593	1.046	12	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.8623	0.505	3	123.0593	1.046	12	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.3613	0.317	3	121.9789	1.084	13	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.9915	0.112	2	121.9789	1.084	13	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.4020	0.000	1	121.9789	1.084	13	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.7610	0.000	1	121.9789	1.084	13	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,4|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.1735	0.827	4	121.9789	1.084	13	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.9350	0.000	1	121.9789	1.084	13	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.8670	0.000	1	121.9789	1.084	13	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.1880	0.000	1	123.4480	0.581	3	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.3060	0.000	1	123.4480	0.581	3	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.8500	0.000	1	123.4480	0.581	3	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CCHH)	124.4168	0.634	4	123.7795	1.479	79	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	123.8150	0.031	2	123.7795	1.479	79	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	124.3005	1.182	6	123.7795	1.479	79	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	122.3810	1.310	2	123.7795	1.479	79	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	122.6675	0.782	24	123.7795	1.479	79	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	122.5802	0.384	5	123.7795	1.479	79	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	124.4855	1.600	4	123.7795	1.479	79	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	124.7228	0.873	16	123.7795	1.479	79	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	124.3788	0.394	6	123.7795	1.479	79	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	124.2352	0.330	4	123.7795	1.479	79	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	124.8457	0.317	6	123.7795	1.479	79	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	124.4710	0.000	1	123.2120	1.199	3	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	122.6840	0.000	1	123.2120	1.199	3	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	122.4810	0.000	1	123.2120	1.199	3	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.9815	0.635	4	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.2060	0.074	2	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.2150	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.2140	0.306	3	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	125.1420	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.5843	1.085	3	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.3850	0.525	2	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.3950	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.3465	0.493	13	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.9156	0.489	9	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|I<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.3425	0.177	4	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.3924	0.443	16	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.5060	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.4130	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.5137	0.771	3	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.4660	0.212	2	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.3640	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.5940	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.6580	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.4407	0.451	3	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.0120	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.5530	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.9340	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.1667	0.414	3	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.1989	0.293	7	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.5200	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.3447	1.017	12	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.1720	0.410	2	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.6660	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.1130	0.129	2	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|I<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.3233	0.510	3	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.5998	0.848	5	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.9020	0.569	2	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.7380	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.8350	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.7540	0.543	2	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.8620	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.2797	0.623	3	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.5700	0.000	1	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.9133	0.778	4	123.7463	0.869	126	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CHHO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CHHO)	124.5855	1.576	2	124.0559	0.809	8	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CHHO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CHHO)	124.2300	0.590	3	124.0559	0.809	8	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CHHO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|I<1>}	O(C[6a]C[6,6a]C[6a])(CHHO)	122.8770	0.000	1	124.0559	0.809	8	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CHHO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CHHO)	123.8545	0.599	2	124.0559	0.809	8	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	122.5950	0.000	1	122.5950	0.000	1	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.5970	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.9560	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.3805	0.561	2	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.8830	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.5920	1.314	2	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.1500	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.7680	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.6370	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.5420	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.4085	0.719	2	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.7340	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.3277	0.650	7	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.7580	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.2050	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.4705	0.231	2	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.5700	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.2520	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.6335	0.128	4	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.5010	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.0449	0.686	10	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.8560	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.0070	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.8720	0.000	1	122.9393	1.554	45	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(CCCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	O(C[6a]C[6,6a]C[6a])(CCCH)	126.2605	0.295	2	126.2605	0.087	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]O)(H){1|H<1>,2|C<3>,3|O<2>}	O(C[6a]C[6,6a]C[6a])(CCHH)	122.5520	0.724	2	122.5520	0.524	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	125.2040	0.000	1	124.8210	0.293	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,1|S<4>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.4380	0.000	1	124.8210	0.293	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|Cu<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	123.9250	0.000	1	124.7082	6.253	6	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	120.0240	0.000	1	124.7082	6.253	6	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6,6a]C[6a])(CCHH)	126.5180	0.000	1	124.7082	6.253	6	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	125.9273	0.698	3	124.7082	6.253	6	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CC[5]HH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(CC[5]HH)	126.8970	0.000	1	126.8970	0.000	1	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	119.8580	0.000	1	124.3397	15.474	3	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	126.5805	0.906	2	124.3397	15.474	3	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	126.0450	0.000	1	125.3120	2.017	5	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.7800	0.000	1	125.3120	2.017	5	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	126.0530	0.000	1	125.3120	2.017	5	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	125.8410	0.099	2	125.3120	2.017	5	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.2520	0.000	1	125.3255	8.599	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	127.3990	0.000	1	125.3255	8.599	2	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]Br)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CCHH)	124.7920	0.000	1	124.7920	0.000	1	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]Br)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.3380	0.000	1	124.3380	0.000	1	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	125.8440	0.181	2	125.6478	0.080	4	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	125.4515	0.233	2	125.6478	0.080	4	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CCHH)	124.8720	0.218	2	125.2957	0.318	8	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CCHH)	125.2905	0.667	4	125.2957	0.318	8	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CCHH)	125.7300	0.327	2	125.2957	0.318	8	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|B<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.0480	5.293	2	125.2074	2.386	31	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	126.6960	0.000	1	125.2074	2.386	31	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	125.3709	0.408	16	125.2074	2.386	31	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	125.0490	0.000	1	125.2074	2.386	31	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	125.5746	0.466	10	125.2074	2.386	31	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	125.9090	0.000	1	125.2074	2.386	31	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	125.4650	0.000	1	125.4650	0.000	1	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	125.2630	0.000	1	125.2630	0.000	1	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC){1|O<2>,5|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	123.0710	0.000	1	123.0710	0.000	1	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6,6a]C[6a])(CCHH)	125.5340	0.000	1	125.5340	0.000	1	123.7520	1.903	438	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)	127.7290	0.000	1	127.7290	0.000	1	127.7290	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(PC[6a]2O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OP){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6,6a]C[6a])(PC[6a]2O)	121.3650	0.000	1	121.3650	0.000	1	117.8320	24.964	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(PPdOO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OP){1|Pd<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(PPdOO)	114.2990	0.000	1	114.2990	0.000	1	117.8320	24.964	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]C[6a])(SCOO)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OS){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(H){3|C<3>}	O(C[6a]C[6,6a]C[6a])(SCOO)	115.1120	0.541	3	115.1120	0.293	3	118.2558	7.580	20	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OS){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	117.5932	0.859	5	117.5932	0.739	5	118.2558	7.580	20	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OS){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	115.7060	0.000	1	116.3260	0.769	2	118.2558	7.580	20	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OS){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	116.9460	0.000	1	116.3260	0.769	2	118.2558	7.580	20	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(SCOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(SCOO)	118.1320	0.530	2	118.1320	0.281	2	118.2558	7.580	20	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	119.8370	2.940	2	118.6462	4.790	4	118.2558	7.580	20	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	117.4555	0.234	2	118.6462	4.790	4	118.2558	7.580	20	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	118.0260	0.000	1	118.0260	0.000	1	118.2558	7.580	20	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	123.4190	0.000	1	123.4190	0.000	1	118.2558	7.580	20	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6,6a]C[6a])(SO3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(SO3)	123.4340	2.189	2	123.4340	4.793	2	118.2558	7.580	20	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.2470	0.000	1	124.2470	0.000	1	124.3596	0.087	5	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.8640	0.000	1	124.6045	0.135	2	124.3596	0.087	5	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(H){6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.3450	0.000	1	124.6045	0.135	2	124.3596	0.087	5	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(H){2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.1710	0.103	2	124.1710	0.011	2	124.3596	0.087	5	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)(OC)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(Br)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)(OC){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(Br){1|N<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	121.9990	0.000	1	121.9990	0.000	1	121.9990	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)(H){1|N<3>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.3310	0.107	2	125.3310	0.012	2	124.8390	0.732	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.8550	0.000	1	123.8550	0.000	1	124.8390	0.732	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(Br)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(Br){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.1740	0.000	1	121.1740	0.000	1	121.1740	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]O)(H){1|B<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.9296	0.686	11	123.9296	0.470	11	124.2648	0.479	22	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]O)(H){1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.7240	0.000	1	125.7240	0.000	1	124.2648	0.479	22	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.7592	0.342	5	124.5049	0.184	9	124.2648	0.479	22	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.0965	0.108	2	124.5049	0.184	9	124.2648	0.479	22	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|N<3>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.6150	0.000	1	124.5049	0.184	9	124.2648	0.479	22	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.9400	0.000	1	124.5049	0.184	9	124.2648	0.479	22	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.3320	0.000	1	124.3320	0.000	1	124.2648	0.479	22	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(OC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	125.6260	0.000	1	125.6260	0.000	1	124.7784	1.406	12	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(OC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(OC){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(H){5|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	121.3450	0.000	1	121.3450	0.000	1	124.7784	1.406	12	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]O)(H){1|N<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	124.5790	0.000	1	124.5790	0.000	1	124.7784	1.406	12	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.0879	0.507	9	125.0879	0.257	9	124.7784	1.406	12	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(Br)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(Br){1|N<3>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.5140	0.000	1	121.5140	0.000	1	119.7303	3.671	11	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(Br)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.8580	0.000	1	117.8580	0.000	1	119.7303	3.671	11	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	122.0880	0.000	1	122.0880	0.000	1	119.7303	3.671	11	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.6230	0.000	1	119.1485	0.135	4	119.7303	3.671	11	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.9903	0.227	3	119.1485	0.135	4	119.7303	3.671	11	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	119.5310	3.329	3	119.5310	11.080	3	119.7303	3.671	11	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.3860	0.000	1	120.3860	0.000	1	119.7303	3.671	11	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Cl)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	118.5290	2.765	2	118.5290	7.644	2	118.5290	7.644	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(F)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(F){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.4110	0.000	1	118.8650	0.412	2	120.5300	10.076	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(F)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(F){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.3190	0.000	1	118.8650	0.412	2	120.5300	10.076	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(F)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(OC){1|C<4>,1|F<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(F){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.1350	0.000	1	119.1350	0.000	1	120.5300	10.076	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(F)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]F)(OC){1|F<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(F){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.2550	0.000	1	125.2550	0.000	1	120.5300	10.076	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[3x6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H){1|N<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	124.6345	0.218	2	124.6345	0.048	2	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	123.4597	1.096	3	123.4597	1.202	3	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.6745	0.221	2	122.5312	1.068	4	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.0580	0.000	1	122.5312	1.068	4	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.7180	0.000	1	122.5312	1.068	4	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	124.1890	0.000	1	124.1890	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)2(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)2(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.0770	0.010	2	122.0770	0.000	2	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H){1|N<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.7520	0.000	1	124.7520	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]H)(OC){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a,6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.3750	0.000	1	125.3750	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.3080	0.518	2	123.3080	0.268	2	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	121.6290	0.792	2	121.6290	0.627	2	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.6330	0.000	1	125.6330	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.5960	0.000	1	125.5960	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|O<2>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.4125	0.175	2	124.4125	0.031	2	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	123.9850	0.000	1	123.9850	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.8373	0.907	6	122.8373	0.823	6	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	115.7510	0.000	1	115.7510	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.0895	0.105	2	122.9049	0.454	8	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.7048	0.917	4	122.9049	0.454	8	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.1205	0.572	2	122.9049	0.454	8	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.4516	0.786	10	121.4516	0.618	10	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	120.7650	0.617	6	120.7650	0.381	6	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.3565	0.524	2	121.3565	0.275	2	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)2(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)2(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.6788	0.366	4	121.6788	0.134	4	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.3240	0.000	1	124.0960	0.318	4	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.4955	0.197	2	124.0960	0.318	4	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.0690	0.000	1	124.0960	0.318	4	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.5255	0.643	2	122.5255	0.413	2	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.1505	0.138	2	123.6208	0.627	13	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.8881	0.490	11	123.6208	0.627	13	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Br)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Br<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.8927	0.111	3	121.8927	0.012	3	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	125.1050	2.686	2	124.4773	4.788	3	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	123.2220	0.000	1	124.4773	4.788	3	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.2560	0.000	1	124.6202	0.610	25	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.5070	0.129	2	124.6202	0.610	25	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.4325	0.340	2	124.6202	0.610	25	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.5002	0.387	6	124.6202	0.610	25	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.5870	0.071	2	124.6202	0.610	25	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.4410	0.397	2	124.6202	0.610	25	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.0676	0.342	7	124.6202	0.610	25	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.0500	0.208	2	124.6202	0.610	25	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.7390	0.000	1	124.6202	0.610	25	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.0160	0.000	1	124.0160	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC3)	120.7540	0.000	1	120.7540	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCCH)	125.2497	0.090	3	125.2497	0.008	3	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	123.4800	0.437	4	124.7131	0.804	99	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	122.6280	0.000	1	124.7131	0.804	99	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|S<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	123.1430	0.433	2	124.7131	0.804	99	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	124.6925	0.540	2	124.7131	0.804	99	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	124.7652	0.812	84	124.7131	0.804	99	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	125.6782	0.655	5	124.7131	0.804	99	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	125.7130	0.000	1	124.7131	0.804	99	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	124.7440	0.000	1	124.7440	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[5a]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[5a]CH)	125.2320	0.000	1	125.2320	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	124.3730	0.337	4	124.3730	0.113	4	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	124.8165	0.405	2	124.8165	0.164	2	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.8543	0.392	4	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Ge<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	126.0050	0.301	2	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.5150	0.000	1	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.7390	0.000	1	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.7730	0.000	1	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.1900	0.000	1	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.7837	1.027	3	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.4927	0.331	3	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.6128	0.707	4	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.5377	0.505	10	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.4630	1.543	2	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.6320	0.000	1	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.7547	0.375	3	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.4550	0.000	1	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.6040	0.361	2	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.7222	0.463	12	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.0520	0.000	1	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.9150	0.000	1	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.3001	0.465	18	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.8826	0.559	8	124.4795	1.053	79	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	122.7227	0.318	3	122.7227	0.101	3	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|I<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	122.5400	0.629	2	122.5400	0.396	2	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.7320	0.000	1	124.7320	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCCH)	121.6440	4.113	3	121.6440	16.918	3	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	124.3330	0.710	2	123.9862	0.343	4	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	123.6395	0.210	2	123.9862	0.343	4	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	122.9980	0.000	1	123.5175	0.163	6	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	123.4810	0.180	4	123.5175	0.163	6	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	124.1830	0.000	1	123.5175	0.163	6	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.6710	0.000	1	123.0707	0.955	38	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.5350	0.243	3	123.0707	0.955	38	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.2443	0.408	3	123.0707	0.955	38	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.7985	0.631	2	123.0707	0.955	38	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.5625	0.520	2	123.0707	0.955	38	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.2940	0.000	1	123.0707	0.955	38	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.2068	0.266	10	123.0707	0.955	38	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.0045	0.121	2	123.0707	0.955	38	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.5720	0.363	2	123.0707	0.955	38	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.6308	0.429	6	123.0707	0.955	38	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.5580	0.080	4	123.0707	0.955	38	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.7120	0.076	2	123.0707	0.955	38	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Pt)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Pt<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Pt)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.2717	1.044	3	124.4641	1.167	7	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Pt)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Pt<5>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Pt)(H){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.8585	0.684	4	124.4641	1.167	7	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]S)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.2940	0.000	1	125.2940	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Br<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	123.2730	0.369	2	125.4916	0.578	54	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	126.4930	0.000	1	125.4916	0.578	54	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	125.5590	0.623	51	125.4916	0.578	54	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.6773	0.346	3	125.6773	0.120	3	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CHHP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CHHP)	124.7623	0.263	4	124.7623	0.069	4	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	125.8702	0.645	5	125.8702	0.416	5	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.8520	0.000	1	125.8520	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	125.6900	0.141	2	125.6900	0.020	2	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	124.1980	3.240	2	124.1980	10.497	2	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|F<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.4560	0.000	1	125.4560	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	120.7006	2.995	8	124.3774	3.190	64	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	124.9026	0.515	56	124.3774	3.190	64	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	125.0970	0.000	1	125.0970	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	124.7457	0.409	6	124.7457	0.167	6	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	124.9567	0.416	4	124.9567	0.173	4	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.6880	0.307	4	125.2961	0.976	30	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	124.9474	0.396	17	125.2961	0.976	30	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.8767	0.071	3	125.2961	0.976	30	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.7200	0.000	1	125.2961	0.976	30	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	126.5352	0.580	5	125.2961	0.976	30	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Br)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	125.7000	0.068	2	125.7000	0.005	2	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	126.3680	0.000	1	126.3680	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	125.3630	0.000	1	125.3630	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	126.0361	0.490	9	126.0361	0.240	9	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	126.0400	0.340	3	126.0400	0.115	3	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<2>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	125.8030	0.000	1	125.8030	0.000	1	124.3357	2.272	560	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)	124.3597	0.482	4	124.3597	0.232	4	124.3597	0.232	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	125.1610	0.027	2	125.1610	0.001	2	123.5074	13.954	8	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2O)	114.7000	0.000	1	114.7000	0.000	1	123.5074	13.954	8	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6]){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)	123.2210	1.310	2	123.2210	1.715	2	123.5074	13.954	8	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	125.5317	0.482	3	125.5317	0.232	3	123.5074	13.954	8	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(PO3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(PO3)	120.6472	0.716	4	120.6472	0.513	4	119.8131	4.766	7	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(PO3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OP){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(PO3)	122.3260	0.000	1	122.3260	0.000	1	119.8131	4.766	7	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(PPdOO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OP){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(PPdOO)	116.8885	0.923	2	116.8885	0.852	2	119.8131	4.766	7	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(P[6]C[6,6a]O[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(P[6]C[6,6a]O[6]O)	121.7320	0.000	1	121.7320	0.000	1	121.2440	0.476	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(P[6]O[6]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(P[6]O[6]2O)	120.7560	0.000	1	120.7560	0.000	1	121.2440	0.476	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(SCOO)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OS){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SCOO)	120.1640	2.530	2	120.1640	6.401	2	120.1461	2.103	26	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(SCOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SCOO)	117.6450	0.000	1	119.5477	2.717	3	120.1461	2.103	26	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(SCOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SCOO)	120.4990	0.057	2	119.5477	2.717	3	120.1461	2.103	26	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	118.3300	0.000	1	120.1634	1.438	5	120.1461	2.103	26	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	121.6710	0.000	1	120.1634	1.438	5	120.1461	2.103	26	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	120.4060	0.000	1	120.1634	1.438	5	120.1461	2.103	26	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	120.2050	0.238	2	120.1634	1.438	5	120.1461	2.103	26	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(H)	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	125.4170	0.000	1	125.4170	0.000	1	120.1461	2.103	26	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OS){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	119.8971	0.699	10	119.8971	0.488	10	120.1461	2.103	26	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(SCOO)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(OS){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a,6a]C[6a])(SCOO)	119.9244	0.463	5	119.9244	0.215	5	120.1461	2.103	26	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SiC3)	120.6560	0.000	1	120.6560	0.000	1	120.6940	2.003	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(SiCCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(SiCCO)	120.7130	2.001	2	120.7130	4.004	2	120.6940	2.003	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si[5]-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[5])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(Si[5]N[5,6]O[5]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[5]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(Si[5]N[5,6]O[5]C)	125.5620	0.000	1	125.5620	0.000	1	125.5620	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si[6]-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[6])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(Si[6]C[6]2O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[6]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(Si[6]C[6]2O)	124.2512	2.605	6	124.2512	6.783	6	124.2512	6.783	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(I)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.8260	0.933	2	118.8260	0.871	2	118.8260	0.871	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.2808	0.527	5	124.2743	0.209	10	124.2743	0.209	10	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.1385	0.381	4	124.2743	0.209	10	124.2743	0.209	10	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7850	0.000	1	124.2743	0.209	10	124.2743	0.209	10	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.1060	0.221	2	124.1060	0.049	2	124.1060	0.049	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	122.1690	0.000	1	122.1690	0.000	1	120.3808	6.197	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	120.3520	0.000	1	120.3520	0.000	1	120.3808	6.197	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(Br){2|C<3>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	122.1320	0.000	1	122.1320	0.000	1	120.3808	6.197	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.8700	0.000	1	116.8700	0.000	1	120.3808	6.197	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(Cl){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.0329	0.391	19	115.0329	0.153	19	115.0329	0.153	19	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3740	0.000	1	124.3740	0.000	1	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.4780	0.253	2	124.6113	0.085	3	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8780	0.000	1	124.6113	0.085	3	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1960	0.000	1	123.1960	0.000	1	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	123.1260	0.000	1	123.1260	0.000	1	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	123.0410	0.000	1	123.0235	0.001	2	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,5|C<4>}	O(C[6a]C[6a]2)(CH3)	123.0060	0.000	1	123.0235	0.001	2	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.9197	1.173	3	121.9197	1.375	3	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	121.9520	0.000	1	121.9520	0.000	1	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HO)	114.8205	0.095	2	114.8205	0.009	2	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.5080	0.000	1	124.5080	0.000	1	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	123.9710	0.000	1	123.9710	0.000	1	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	118.0363	4.946	3	118.6446	20.840	5	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5780	0.000	1	118.6446	20.840	5	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	123.5360	0.000	1	118.6446	20.840	5	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	124.2710	0.000	1	124.3690	0.019	2	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.4670	0.000	1	124.3690	0.019	2	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|B<3>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8930	0.875	2	116.3998	16.242	6	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.2093	5.488	3	116.3998	16.242	6	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	113.9850	0.000	1	116.3998	16.242	6	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	114.9450	0.000	1	114.7180	0.103	2	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	114.4910	0.000	1	114.7180	0.103	2	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.4910	0.000	1	117.7337	34.677	3	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.3550	7.320	2	117.7337	34.677	3	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.4520	0.668	3	120.3097	21.874	30	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	115.1780	0.000	1	120.3097	21.874	30	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	114.7987	0.248	4	120.3097	21.874	30	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	116.8642	4.723	4	120.3097	21.874	30	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	117.8437	4.961	3	120.3097	21.874	30	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2890	0.000	1	120.3097	21.874	30	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.1993	0.208	3	120.3097	21.874	30	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,2|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	113.2690	0.000	1	120.3097	21.874	30	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	121.1407	4.991	3	120.3097	21.874	30	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	123.9970	0.000	1	120.3097	21.874	30	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.0030	0.305	5	120.3097	21.874	30	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9850	0.000	1	120.3097	21.874	30	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7250	0.000	1	119.5299	25.357	12	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5787	0.583	3	119.5299	25.357	12	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1300	0.000	1	119.5299	25.357	12	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.0200	0.299	3	119.5299	25.357	12	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8350	0.000	1	119.5299	25.357	12	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	115.1900	0.000	1	119.5299	25.357	12	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8120	0.000	1	119.5299	25.357	12	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8710	0.000	1	119.5299	25.357	12	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.9530	0.000	1	123.9530	0.000	1	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CF3)	121.2640	3.459	2	119.7962	5.189	5	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(CF3)	119.7860	0.000	1	119.7962	5.189	5	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CF3)	118.0170	0.000	1	119.7962	5.189	5	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CF3)	118.6500	0.000	1	119.7962	5.189	5	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3090	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	118.3620	5.720	3	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2500	0.242	4	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.9353	4.748	6	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	120.4662	4.386	10	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2396	3.705	7	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.0860	6.377	2	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.1815	0.207	2	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	118.4597	5.034	3	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3440	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	123.6680	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	O(C[6a]C[6a]2)(CH3)	124.4580	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	121.2720	5.177	3	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.4640	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6440	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.4310	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5365	0.217	2	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6490	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	121.8088	4.544	4	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	120.9307	4.724	6	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3310	0.542	2	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	124.3430	0.151	5	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	124.2850	0.782	2	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	123.5170	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2955	0.282	2	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5710	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(CH3)	124.5520	0.593	2	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.2030	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.6078	5.258	5	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0440	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7050	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.8364	5.253	8	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5200	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|P<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	113.7330	0.000	1	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.1300	7.340	2	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.3107	0.480	4	120.4828	20.815	99	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2050	0.000	1	124.1882	0.316	4	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.1827	0.688	3	124.1882	0.316	4	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.8040	0.000	1	123.8040	0.000	1	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.3560	0.081	2	119.6398	21.414	40	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9710	0.000	1	119.6398	21.414	40	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	116.6156	4.153	9	119.6398	21.414	40	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8867	0.321	3	119.6398	21.414	40	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.1110	0.000	1	119.6398	21.414	40	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	121.5378	4.713	4	119.6398	21.414	40	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	117.6037	5.192	3	119.6398	21.414	40	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.7215	5.833	2	119.6398	21.414	40	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9060	0.000	1	119.6398	21.414	40	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8750	0.000	1	119.6398	21.414	40	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	121.3031	3.998	8	119.6398	21.414	40	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	121.3460	4.368	4	119.6398	21.414	40	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	114.6030	0.000	1	119.6398	21.414	40	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.6290	6.710	2	120.3217	31.110	3	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.7070	0.000	1	120.3217	31.110	3	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6]HH)	114.8861	3.560	8	114.8861	12.676	8	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	123.4246	0.752	5	122.2178	10.326	23	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8300	0.000	1	122.2178	10.326	23	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.0745	6.155	2	122.2178	10.326	23	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	121.6198	3.817	11	122.2178	10.326	23	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5222	0.561	4	122.2178	10.326	23	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CF3)	118.7688	2.953	5	118.7688	8.722	5	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.9230	4.745	5	119.9230	22.513	5	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1138	0.153	4	115.1138	0.023	4	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|I<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2998	1.476	8	124.2998	2.180	8	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	125.6480	0.000	1	124.6998	0.624	5	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|N<3>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4627	0.677	4	124.6998	0.624	5	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.4360	0.000	1	123.4360	0.000	1	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.6680	0.499	49	124.6693	0.235	52	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	124.6903	0.181	3	124.6693	0.235	52	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6390	0.000	1	124.6390	0.000	1	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0113	0.503	7	124.6430	0.240	24	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7013	0.235	7	124.6430	0.240	24	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5945	0.156	2	124.6430	0.240	24	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.7240	0.000	1	124.6430	0.240	24	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0790	0.000	1	124.6430	0.240	24	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2420	0.365	6	124.6430	0.240	24	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.7640	0.000	1	124.7640	0.000	1	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CCHH)	124.8685	0.388	2	124.8685	0.151	2	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	125.0770	0.338	2	124.9201	0.134	7	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	124.8010	0.000	1	124.9201	0.134	7	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.8775	0.080	2	124.9201	0.134	7	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|O<2>}	O(C[6a]C[6a]2)(CH3)	124.3130	0.000	1	124.9201	0.134	7	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.4180	0.000	1	124.9201	0.134	7	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.8685	0.129	2	124.4166	2.698	14	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	122.8810	3.540	3	124.4166	2.698	14	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8480	0.000	1	124.4166	2.698	14	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.5345	0.622	2	124.4166	2.698	14	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9030	0.000	1	124.4166	2.698	14	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8120	0.000	1	124.4166	2.698	14	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){2|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5250	0.000	1	124.4166	2.698	14	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9700	0.116	2	124.4166	2.698	14	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.3560	0.000	1	124.4166	2.698	14	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.0740	0.000	1	120.9895	19.028	2	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.9050	0.000	1	120.9895	19.028	2	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.0815	0.309	2	125.0815	0.095	2	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<2>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2480	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	124.6975	0.223	2	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.4090	0.831	4	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.5070	0.660	2	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.7713	0.248	8	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6838	0.329	8	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8790	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.4220	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8566	0.419	10	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0330	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.8007	1.330	12	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9280	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.5397	0.088	4	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6474	0.391	5	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.9780	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9633	0.755	3	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.3000	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.2150	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5820	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.1870	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0620	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.5224	0.188	5	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	124.8985	1.265	2	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.3738	0.708	11	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.5872	0.216	5	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0965	0.374	6	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.1790	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0295	0.327	2	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6310	0.112	2	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1730	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5807	0.331	12	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|I<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Se<2>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.3530	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	126.1260	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3950	0.000	1	124.8700	0.446	119	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	123.6858	0.490	49	123.6858	0.240	49	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.2100	0.846	4	124.2100	0.715	4	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4855	0.426	2	124.0010	0.795	3	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0320	0.000	1	124.0010	0.795	3	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.4390	0.000	1	124.5518	0.048	6	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6160	0.000	1	124.5518	0.048	6	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.4220	0.017	2	124.5518	0.048	6	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7060	0.375	2	124.5518	0.048	6	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	124.5290	0.581	2	124.8431	0.111	11	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<3>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	124.8533	0.232	6	124.8431	0.111	11	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<1>}	O(C[6a]C[6a]2)(CH3)	125.2080	0.092	2	124.8431	0.111	11	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|O<1>}	O(C[6a]C[6a]2)(CH3)	124.6800	0.000	1	124.8431	0.111	11	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.4910	0.000	1	124.4910	0.000	1	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(OC){2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|N<2>,1|O<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	126.4990	0.000	1	126.4990	0.000	1	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(OC)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(OC){3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	112.7325	0.769	2	112.7325	0.591	2	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	122.9465	0.883	2	122.9465	0.780	2	122.4703	14.865	591	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	123.4340	0.000	1	123.4340	0.000	1	123.4340	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SNOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SNOO)	120.4930	0.085	2	120.4930	0.007	2	119.5075	2.630	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a]2)(SCOO)	118.5220	2.000	2	118.5220	3.999	2	119.5075	2.630	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OSi)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OSi){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(SiC3)	120.3440	0.000	1	120.3440	0.000	1	120.3440	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]O)(OC){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]O)(I){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.6920	0.000	1	120.6920	0.000	1	120.6920	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F)(OC){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]O)(F){1|F<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	121.5780	0.000	1	121.5780	0.000	1	121.5780	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(OC){3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	123.6690	0.361	2	123.6690	0.130	2	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]O)(OC){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.3720	0.000	1	122.3720	0.000	1	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|Br<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6750	0.000	1	124.6750	0.000	1	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.5740	0.000	1	124.5740	0.000	1	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.1770	0.000	1	122.1770	0.000	1	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.4310	0.072	2	123.2410	0.566	7	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4590	0.000	1	123.2410	0.566	7	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	122.7817	0.760	3	123.2410	0.566	7	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0210	0.000	1	123.2410	0.566	7	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|S<2>}	O(C[6a]C[6a]2)(CH3)	124.7420	0.773	3	124.7420	0.597	3	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.5160	0.000	1	124.5160	0.000	1	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6145	0.074	2	122.9648	10.255	26	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9950	3.073	21	122.9648	10.255	26	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|S<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1460	0.000	1	122.9648	10.255	26	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.9075	6.209	2	122.9648	10.255	26	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.4772	2.816	10	123.6117	6.634	12	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.7820	0.000	1	123.6117	6.634	12	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7860	0.000	1	123.6117	6.634	12	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.4330	0.000	1	123.6738	0.405	9	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.5401	0.646	7	123.6738	0.405	9	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.8500	0.000	1	123.6738	0.405	9	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.4666	0.330	10	124.4158	0.105	12	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.2530	0.000	1	124.4158	0.105	12	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.0700	0.000	1	124.4158	0.105	12	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|Cl<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0920	0.000	1	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2880	0.000	1	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.3580	0.000	1	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	125.2290	0.000	1	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.2640	3.761	67	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2490	0.368	2	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<5>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1420	0.000	1	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6410	0.000	1	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.2790	0.000	1	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4330	0.000	1	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8870	0.000	1	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.3068	3.561	24	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.7793	0.123	3	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	123.1047	3.702	18	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.4863	0.128	3	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.4440	0.000	1	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|Se<2>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6240	0.000	1	122.4035	13.748	128	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.1120	0.000	1	124.1120	0.000	1	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.9357	5.550	4	122.3282	12.566	59	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.7737	5.179	3	122.3282	12.566	59	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0000	0.530	3	122.3282	12.566	59	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1086	4.918	5	122.3282	12.566	59	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0200	0.000	1	122.3282	12.566	59	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.8737	3.480	6	122.3282	12.566	59	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	118.9073	4.830	4	122.3282	12.566	59	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	123.9350	0.768	5	122.3282	12.566	59	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1496	2.741	21	122.3282	12.566	59	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	123.5780	0.000	1	122.3282	12.566	59	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.2130	0.000	1	122.3282	12.566	59	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	123.5915	0.260	2	122.3282	12.566	59	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8900	0.000	1	122.3282	12.566	59	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5920	0.243	2	122.3282	12.566	59	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.9100	0.000	1	123.9100	0.000	1	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5880	0.000	1	122.5184	12.003	14	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3870	0.000	1	122.5184	12.003	14	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.9128	5.042	5	122.5184	12.003	14	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1804	0.459	5	122.5184	12.003	14	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9080	0.064	2	122.5184	12.003	14	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.3231	3.029	9	122.6386	13.315	16	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	121.7584	4.410	7	122.6386	13.315	16	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CF3)	120.0105	2.573	4	120.0105	6.622	4	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.7468	3.626	18	122.7243	13.400	24	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2265	7.015	2	122.7243	13.400	24	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3720	0.237	4	122.7243	13.400	24	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.2850	0.325	2	119.2850	0.106	2	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|S<2>}	O(C[6a]C[6a]2)(CH3)	125.0730	0.000	1	124.4395	0.803	2	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8060	0.000	1	124.4395	0.803	2	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.9220	0.000	1	124.7938	0.607	4	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3290	0.000	1	124.7938	0.607	4	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4620	0.337	2	124.7938	0.607	4	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1500	0.000	1	125.1500	0.000	1	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.4940	0.000	1	125.3850	0.141	4	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9190	0.000	1	125.3850	0.141	4	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|S<2>}	O(C[6a]C[6a]2)(CH3)	125.5635	0.361	2	125.3850	0.141	4	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<2>,1|O<2>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6590	0.000	1	124.2010	3.403	12	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.7850	0.000	1	124.2010	3.403	12	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9875	0.644	2	124.2010	3.403	12	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.3290	0.000	1	124.2010	3.403	12	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2390	0.000	1	124.2010	3.403	12	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.7638	2.770	4	124.2010	3.403	12	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5380	0.000	1	124.2010	3.403	12	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8320	0.000	1	124.2010	3.403	12	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9200	0.000	1	124.3363	0.423	8	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1180	0.000	1	124.3363	0.423	8	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6733	0.120	3	124.3363	0.423	8	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|O<2>,1|S<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.6930	1.170	2	124.3363	0.423	8	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|S<4>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.2460	0.000	1	124.3363	0.423	8	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9410	0.000	1	124.4014	0.763	5	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7665	0.358	4	124.4014	0.763	5	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0493	0.343	4	125.0493	0.118	4	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9070	0.000	1	123.9070	0.000	1	122.8675	10.514	366	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2C)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2C)	124.8290	0.000	1	124.8290	0.000	1	124.8290	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(SCOO)	118.1030	0.000	1	118.1030	0.000	1	118.5100	0.464	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(SCOO)	118.1310	0.000	1	118.1310	0.000	1	118.5100	0.464	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Si)(OS)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Si)(OS){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|Si<4>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(SCOO)	119.2960	0.000	1	119.2960	0.000	1	118.5100	0.464	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OSi)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OSi){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(SiC3)	121.6823	1.681	3	121.6823	2.825	3	121.4583	2.274	7	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OSi)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OSi){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(SiC3)	121.2903	1.605	4	121.2903	2.576	4	121.4583	2.274	7	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(I){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.3440	0.000	1	117.3440	0.000	1	117.3440	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]C)(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(Br){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.7828	1.037	6	119.7828	1.076	6	119.7828	1.076	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2143	0.142	4	123.2143	0.020	4	123.3029	9.954	57	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.3268	4.708	4	119.3268	22.163	4	123.3029	9.954	57	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.8375	6.455	2	121.3570	22.439	6	123.3029	9.954	57	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.7085	6.355	2	121.3570	22.439	6	123.3029	9.954	57	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5250	0.133	2	121.3570	22.439	6	123.3029	9.954	57	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[5x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[5x6])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9690	0.000	1	114.9690	0.000	1	123.3029	9.954	57	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.5940	0.670	2	124.5337	2.599	22	123.3029	9.954	57	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.4276	1.649	20	124.5337	2.599	22	123.3029	9.954	57	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1033	0.397	8	125.1033	0.158	8	123.3029	9.954	57	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]O)(H){1|Pt<4>,1|Si<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCCH)	123.0738	2.910	6	123.0738	8.470	6	123.3029	9.954	57	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6,6a]C[6,6,6a]Si[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]Si[3x6])(C[6a]C[6a]O)(H){1|O<2>,1|P<4>,4|C<3>}	O(C[6a]C[6a]2)(CCCH)	122.6638	3.555	6	122.6638	12.639	6	123.3029	9.954	57	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(Br){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3750	0.232	4	116.3750	0.054	4	116.8460	0.810	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	117.0040	0.000	1	117.7880	1.229	2	116.8460	0.810	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	118.5720	0.000	1	117.7880	1.229	2	116.8460	0.810	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(Cl){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5640	0.000	1	115.5640	0.000	1	118.3635	15.674	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(Cl){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	121.1630	0.000	1	121.1630	0.000	1	118.3635	15.674	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(OS)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(OS){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O(C[6a]C[6a]2)(SCOO)	118.8620	0.000	1	118.8620	0.000	1	118.8620	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	122.9120	0.000	1	122.9600	0.058	4	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	122.9760	0.291	3	122.9600	0.058	4	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.0030	0.000	1	124.0030	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OC)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5770	0.469	3	124.5770	0.220	3	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9815	0.243	2	122.9815	0.059	2	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8120	0.000	1	124.8120	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.8260	0.000	1	122.8260	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){2|C<3>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	123.8860	0.000	1	123.8860	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.2460	0.000	1	124.5005	0.149	6	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	124.2900	0.000	1	124.5005	0.149	6	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.8170	0.000	1	124.5005	0.149	6	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9650	0.000	1	124.5005	0.149	6	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8425	0.115	2	124.5005	0.149	6	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|P<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.7160	0.000	1	122.7160	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.8900	0.000	1	122.8165	1.717	2	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	123.7430	0.000	1	122.8165	1.717	2	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.9925	0.317	2	124.9925	0.101	2	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|B<6>,1|C<3>,1|H<1>}	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]O)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	O(C[6a]C[6a]2)(CCHH)	124.7250	0.000	1	124.7250	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|B<6>,1|C<3>,1|H<1>}	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]O)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	O(C[6a]C[6a]2)(CH3)	125.2050	0.000	1	125.2050	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	114.8490	0.000	1	114.8490	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6860	6.602	2	118.1640	28.740	3	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1200	0.000	1	118.1640	28.740	3	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9170	0.000	1	114.9170	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8695	0.786	2	124.6397	0.467	3	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1800	0.000	1	124.6397	0.467	3	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CF3)	119.7810	0.000	1	119.7810	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2045	0.054	2	117.1215	17.472	4	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3810	0.000	1	117.1215	17.472	4	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|P<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6960	0.000	1	117.1215	17.472	4	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.6720	0.000	1	124.6720	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	123.9600	0.200	3	123.9600	0.040	3	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.3690	0.000	1	115.3690	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8260	0.113	2	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	124.5775	0.248	4	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	123.6650	0.000	1	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.6310	0.861	2	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0150	0.000	1	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	124.2610	0.000	1	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8450	0.000	1	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8620	0.000	1	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.2440	0.000	1	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	120.1005	6.404	2	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	115.6170	0.000	1	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	114.4760	0.000	1	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	125.0920	0.000	1	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	115.6210	0.000	1	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8140	0.000	1	121.9018	18.355	21	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.2745	6.666	2	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	115.3700	0.000	1	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	123.7720	0.000	1	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	118.7166	4.570	8	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	124.3680	0.000	1	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0540	0.000	1	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.0922	3.874	5	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.3463	5.001	3	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.0880	0.000	1	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.0570	0.000	1	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.0207	0.258	3	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6870	0.000	1	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	121.9153	4.603	4	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.7070	0.210	3	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0300	0.000	1	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.9645	0.117	2	119.0784	20.958	38	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.0410	0.000	1	117.5570	17.014	5	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.4370	0.000	1	117.5570	17.014	5	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.6480	0.000	1	117.5570	17.014	5	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.8400	0.000	1	117.5570	17.014	5	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.8190	0.000	1	117.5570	17.014	5	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[3]HH)	114.8210	0.000	1	114.8210	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	115.4230	0.000	1	115.4230	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.4940	5.028	5	119.4940	25.284	5	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CF3)	117.3626	1.647	5	117.3626	2.711	5	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.1090	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.2820	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	123.7320	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.9853	5.490	4	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.3580	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8995	0.182	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2767	0.402	3	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	119.5010	6.730	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	117.6100	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.1620	6.003	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3060	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.9745	6.714	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6850	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0452	4.413	90	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.9560	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	121.7985	4.126	12	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3390	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8550	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	115.4195	0.207	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4550	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.9631	3.580	11	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.2277	5.348	3	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1095	0.050	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	121.1112	4.364	43	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.4447	5.484	3	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	121.9185	4.738	4	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	116.3200	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9510	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3080	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6317	0.451	3	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.2090	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	124.2310	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6190	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	125.2150	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3010	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	124.6410	0.397	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	125.2550	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	123.1284	3.739	5	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5665	0.234	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.9755	0.173	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	122.5367	6.087	11	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.3720	0.356	4	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8940	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1260	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	114.7620	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.1660	5.258	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	126.1425	1.262	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8030	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.4900	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.4995	0.605	4	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(CH3)	121.3808	5.108	5	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.2558	4.017	5	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	120.2490	6.439	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4354	3.301	7	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.0453	5.332	3	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.8480	5.125	3	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9866	4.063	5	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7470	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4020	0.439	9	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7690	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3980	0.257	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.2040	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	124.9015	0.299	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.0170	2.048	23	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	121.5190	5.739	3	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|S<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9620	0.093	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1525	0.746	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5345	0.217	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.6161	4.469	7	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5110	0.584	2	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.6220	0.000	1	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.8321	4.403	10	121.1754	20.513	345	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CHHO)	112.9760	0.000	1	113.9580	1.929	2	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CHHO)	114.9400	0.000	1	113.9580	1.929	2	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	115.2070	0.000	1	115.5563	0.118	3	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8940	0.000	1	115.5563	0.118	3	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	115.5680	0.000	1	115.5563	0.118	3	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	115.2450	0.000	1	115.2450	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.9880	0.431	11	114.9880	0.185	11	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0820	0.247	3	121.2968	17.930	20	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0220	0.000	1	121.2968	17.930	20	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.9115	6.496	2	121.2968	17.930	20	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	123.6890	0.173	2	121.2968	17.930	20	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1890	0.000	1	121.2968	17.930	20	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4100	0.000	1	121.2968	17.930	20	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3750	0.000	1	121.2968	17.930	20	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1760	0.000	1	121.2968	17.930	20	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2170	0.000	1	121.2968	17.930	20	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.0213	5.857	3	121.2968	17.930	20	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.6690	0.000	1	121.2968	17.930	20	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3450	0.000	1	121.2968	17.930	20	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	115.9800	0.000	1	121.2968	17.930	20	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0410	0.000	1	121.2968	17.930	20	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|B<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.1400	0.000	1	118.8390	21.077	3	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.1885	0.054	2	118.8390	21.077	3	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.1370	0.000	1	124.1370	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|B<3>,1|C<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8140	0.000	1	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3260	0.000	1	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|B<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1740	0.000	1	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.6930	0.000	1	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	124.2155	0.337	2	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	120.3611	5.070	7	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.1635	4.519	20	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.3830	5.937	2	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4160	0.000	1	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|Si<5>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3997	0.284	3	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|Si<6>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2500	2.851	11	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|B<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2210	0.000	1	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.0215	0.295	6	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2860	2.908	11	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9930	0.000	1	122.1283	14.996	69	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.9140	6.276	2	118.5833	25.008	3	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	115.9220	0.000	1	118.5833	25.008	3	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.0195	0.216	2	125.0195	0.047	2	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1050	0.000	1	121.8536	19.830	7	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.3240	4.494	4	121.8536	19.830	7	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2870	0.325	2	121.8536	19.830	7	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.1578	2.056	6	124.5412	2.120	12	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.6550	0.000	1	124.5412	2.120	12	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.0535	0.269	4	124.5412	2.120	12	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.6790	0.000	1	124.5412	2.120	12	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4725	0.373	4	124.2132	1.255	6	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|S<2>}	O(C[6a]C[6a]2)(CH3)	123.6945	2.248	2	124.2132	1.255	6	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8080	0.000	1	124.6076	2.214	19	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4880	1.582	16	124.6076	2.214	19	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9330	0.000	1	124.6076	2.214	19	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.9960	0.000	1	124.6076	2.214	19	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.3250	0.000	1	125.3250	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<3>}	O(C[6a]C[6a]2)(CH3)	125.2350	0.000	2	125.0802	0.773	36	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	O(C[6a]C[6a]2)(CH3)	125.9495	0.095	2	125.0802	0.773	36	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.7413	1.292	14	125.0802	0.773	36	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9020	0.405	3	125.0802	0.773	36	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,1|S<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.0850	0.000	1	125.0802	0.773	36	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	125.4653	0.150	3	125.0802	0.773	36	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.7470	0.000	1	125.0802	0.773	36	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3610	0.122	2	125.0802	0.773	36	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	125.4550	0.000	1	125.0802	0.773	36	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.1360	0.000	1	125.0802	0.773	36	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){2|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9560	0.382	2	125.0802	0.773	36	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.5980	0.000	1	125.0802	0.773	36	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.2200	0.013	2	125.0802	0.773	36	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9430	0.000	1	125.0802	0.773	36	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.9820	0.000	1	125.9820	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.8227	0.844	29	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.7185	0.353	2	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	125.0972	0.547	5	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.4030	1.517	2	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,2|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	125.6240	0.000	1	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.7790	0.000	1	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8730	0.367	4	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0030	0.000	1	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|O<2>}	O(C[6a]C[6a]2)(CH3)	119.9440	0.000	1	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.2341	1.939	9	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.7140	0.000	1	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|Ru<11>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.7950	0.167	2	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	125.9830	0.615	2	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	124.3690	0.300	2	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8380	0.000	1	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.5430	0.000	1	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1470	0.000	1	124.7242	1.364	65	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(CCHH)	118.9330	0.000	1	124.0805	6.914	6	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>,2|N<3>}	O(C[6a]C[6a]2)(CCHH)	125.4387	0.638	3	124.0805	6.914	6	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	O(C[6a]C[6a]2)(CCHH)	125.3750	0.000	1	124.0805	6.914	6	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CCHH)	123.8590	0.000	1	124.0805	6.914	6	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.9760	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.9880	2.959	6	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.7587	0.369	4	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8080	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8620	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.7806	1.577	12	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.0500	0.092	5	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.6310	0.974	2	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.3762	0.395	13	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.3210	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	125.1893	0.141	3	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.4230	0.147	2	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	126.2415	1.405	2	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.4270	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.1826	0.840	124	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	125.1980	0.477	2	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9999	0.528	21	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5087	0.643	3	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8940	0.496	9	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.1533	0.327	30	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2940	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.1669	0.542	14	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.2700	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	123.7987	3.061	4	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.3120	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	125.4817	0.124	7	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1090	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0030	0.403	4	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8985	0.110	2	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.2090	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.5820	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.1640	0.471	3	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.4605	0.563	4	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8980	0.212	2	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.7645	0.073	2	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1160	3.130	3	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	124.8400	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	126.1160	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	126.0280	0.375	2	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.2877	0.342	3	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	125.3225	0.555	6	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.5743	0.466	3	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	125.6340	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1463	0.642	3	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1690	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.3916	0.455	10	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.4984	0.658	5	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.6523	1.095	3	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.7320	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.4514	0.505	10	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3660	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.6110	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.4350	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0598	0.460	4	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.5530	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.9100	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|Se<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9375	0.107	2	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|I<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.7660	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.9395	0.069	2	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7160	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5440	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1570	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.8180	0.000	1	125.1270	0.810	362	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CCHH)	125.2660	0.000	1	125.2660	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.7915	0.240	4	124.8066	0.044	5	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8670	0.000	1	124.8066	0.044	5	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.1183	0.624	4	125.1183	0.390	4	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1220	0.000	1	124.7110	0.364	19	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.8825	0.108	2	124.7110	0.364	19	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.7330	0.000	1	124.7110	0.364	19	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.7190	0.000	1	124.7110	0.364	19	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8470	0.000	1	124.7110	0.364	19	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6325	0.142	2	124.7110	0.364	19	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7535	0.682	2	124.7110	0.364	19	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6213	0.478	6	124.7110	0.364	19	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8740	0.000	1	124.7110	0.364	19	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	123.9745	0.349	2	124.7110	0.364	19	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.7060	0.000	1	124.5331	0.241	16	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.4470	0.376	8	124.5331	0.241	16	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8060	0.042	3	124.5331	0.241	16	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0027	0.136	3	124.5331	0.241	16	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.8210	0.000	1	124.5331	0.241	16	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.4970	0.076	2	124.4970	0.006	2	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7308	0.451	10	124.8351	0.303	11	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<1>}	O(C[6a]C[6a]2)(CH3)	125.8780	0.000	1	124.8351	0.303	11	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)2(OC)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)2(OC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	124.4440	0.000	1	124.4440	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)2(OC)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)2(OC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0300	0.000	1	115.0300	0.000	1	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	123.8340	0.588	4	123.8340	0.345	4	122.9493	14.664	1159	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	116.1960	0.000	1	116.1960	0.000	1	116.1960	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(SCOO)	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(I){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2970	0.000	1	119.2970	0.000	1	119.2970	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(OS)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(I){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(SCOO)	118.5630	0.000	1	118.5630	0.000	1	118.5630	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.5810	0.000	1	120.5810	0.000	1	118.1778	3.370	11	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.1720	0.000	1	117.1720	0.000	1	118.1778	3.370	11	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4347	0.161	3	117.1734	0.645	7	118.1778	3.370	11	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.7275	0.564	4	117.1734	0.645	7	118.1778	3.370	11	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.2310	0.000	1	121.2310	0.000	1	118.1778	3.370	11	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(Br){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.7580	0.000	1	120.7580	0.000	1	118.1778	3.370	11	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.8740	0.000	1	116.9160	0.004	2	116.9160	0.004	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.9580	0.000	1	116.9160	0.004	2	116.9160	0.004	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OS){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SCOO)	119.4680	0.000	1	119.4680	0.000	1	119.4680	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(OC)	C[6a](C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(OC){3|C<3>}	C[6a](C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	113.5715	0.288	2	113.5715	0.083	2	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(OC)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(OC){3|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1430	0.591	2	124.1430	0.349	2	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(OC)	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(OC){1|P<4>,2|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.5380	0.399	2	123.5380	0.159	2	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OC)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	126.4520	0.000	1	126.4520	0.000	1	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.4450	0.000	1	125.0353	0.281	3	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.3305	0.197	2	125.0353	0.281	3	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC){2|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5110	0.000	1	124.5110	0.000	1	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|Br<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	126.0685	0.069	2	126.0685	0.005	2	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|Br<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8145	0.144	2	124.9715	0.043	4	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|Br<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1285	0.103	2	124.9715	0.043	4	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.7140	0.000	1	119.7140	0.000	1	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9610	0.000	1	124.4526	0.430	34	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5348	0.270	4	124.4526	0.430	34	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1300	0.188	2	124.4526	0.430	34	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4119	0.531	8	124.4526	0.430	34	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){5|C<3>}	O(C[6a]C[6a]2)(CH3)	125.3730	0.840	2	124.4526	0.430	34	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	125.3280	0.000	1	124.4526	0.430	34	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6036	0.553	16	124.4526	0.430	34	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.3760	0.000	1	118.3760	0.000	1	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.8070	0.336	4	122.5090	0.285	6	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){4|C<3>}	O(C[6a]C[6a]2)(CH3)	121.9130	0.147	2	122.5090	0.285	6	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2600	0.202	2	123.2600	0.041	2	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4140	0.000	1	124.0402	5.514	13	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7020	0.000	1	124.0402	5.514	13	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|H<1>,1|S<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0310	0.000	1	124.0402	5.514	13	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	123.9210	0.000	1	124.0402	5.514	13	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6332	0.637	6	124.0402	5.514	13	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4780	0.000	1	124.0402	5.514	13	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0890	0.215	2	124.0402	5.514	13	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8430	0.000	1	124.8430	0.000	1	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.6520	0.000	1	124.6520	0.000	1	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.6200	0.000	1	123.2390	10.847	40	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.2820	0.000	1	123.2390	10.847	40	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3935	3.076	31	123.2390	10.847	40	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2087	3.881	7	123.2390	10.847	40	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.0920	0.000	1	125.3970	0.070	3	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.5495	0.016	2	125.3970	0.070	3	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2103	0.895	3	123.2085	13.578	13	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9450	0.000	1	123.2085	13.578	13	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	122.4575	5.043	4	123.2085	13.578	13	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H){1|H<1>,1|P<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.8610	4.363	5	123.2085	13.578	13	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5210	0.216	2	122.7007	13.619	7	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8222	1.150	4	122.7007	13.619	7	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5740	0.000	1	122.7007	13.619	7	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.8160	0.000	1	124.9167	4.076	49	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.8257	5.426	4	124.9167	4.076	49	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.5925	0.040	2	124.9167	4.076	49	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.0878	1.499	40	124.9167	4.076	49	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.0505	0.262	2	124.9167	4.076	49	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	124.5390	0.140	2	124.5390	0.020	2	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.1470	0.000	1	123.5782	17.258	5	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.4585	0.221	2	123.5782	17.258	5	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.1570	0.000	1	123.5782	17.258	5	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.6700	0.000	1	123.5782	17.258	5	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CF3)	120.9100	0.000	1	119.4400	1.623	3	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CF3)	118.7050	0.072	2	119.4400	1.623	3	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|F<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0640	0.000	1	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|Br<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6010	0.000	1	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.5310	0.000	1	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(CH3)	124.7530	0.000	1	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8173	2.061	43	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6580	0.000	1	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.8226	4.281	7	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3998	3.291	27	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.7970	0.000	1	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8790	0.000	1	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.6600	0.000	1	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1038	0.313	5	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.9450	6.149	2	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.1146	4.494	12	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.6733	6.166	3	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2631	2.364	43	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.9185	1.727	26	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.5915	6.168	2	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7968	0.157	4	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9040	0.000	1	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|Si<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1350	0.000	1	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.3326	0.607	171	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.6420	0.535	2	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3280	0.000	1	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0520	0.000	1	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3580	0.143	2	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.5640	5.153	4	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9481	3.862	17	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	125.9340	0.000	1	124.4507	6.514	383	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	125.3390	0.000	1	125.3390	0.000	1	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.3510	0.000	1	120.5366	22.269	7	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.0675	4.987	6	120.5366	22.269	7	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1361	0.578	8	124.3256	5.523	17	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.3430	0.000	1	124.3256	5.523	17	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4424	0.125	5	124.3256	5.523	17	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4220	0.000	1	124.3256	5.523	17	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7345	0.050	2	124.3256	5.523	17	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCCH)	124.6920	0.000	1	122.4365	22.389	4	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCCH)	121.6847	5.495	3	122.4365	22.389	4	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.2628	5.047	24	120.8174	23.016	31	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.7187	3.462	7	120.8174	23.016	31	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	114.8810	0.000	1	114.8810	0.000	1	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.4215	0.646	2	124.0117	0.234	6	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.8067	0.287	4	124.0117	0.234	6	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.0920	5.093	5	122.8274	11.711	73	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3531	2.987	42	122.8274	11.711	73	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.3120	3.688	26	122.8274	11.711	73	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.7790	0.000	1	114.7790	0.000	1	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|N<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4510	0.000	1	124.4510	0.000	1	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.5450	0.000	1	124.8003	0.353	8	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7290	0.000	1	124.8003	0.353	8	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4560	0.341	3	124.8003	0.353	8	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9200	0.799	3	124.8003	0.353	8	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.0145	0.661	2	125.5516	0.468	17	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.8367	0.472	12	125.5516	0.468	17	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.6530	0.000	1	125.5516	0.468	17	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|Te<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.3275	0.203	2	125.5516	0.468	17	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	126.0130	0.000	1	125.3647	0.280	30	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	125.3982	0.515	25	125.3647	0.280	30	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1400	0.554	2	125.3647	0.280	30	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8470	0.605	2	125.3647	0.280	30	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.5760	0.000	1	125.7903	0.035	3	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	125.9180	0.000	1	125.7903	0.035	3	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	125.8770	0.000	1	125.7903	0.035	3	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	126.3200	0.973	3	126.3200	0.947	3	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	O(C[6a]C[6a]2)(CCHH)	125.1758	0.691	17	125.6691	0.747	61	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,3|N<2>}	O(C[6a]C[6a]2)(CCHH)	126.7250	0.000	1	125.6691	0.747	61	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.7037	0.935	24	125.6691	0.747	61	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	126.0112	0.728	19	125.6691	0.747	61	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.9370	0.000	1	125.7453	0.586	3	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	126.1495	0.438	2	125.7453	0.586	3	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|Br<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.5715	0.323	2	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.5705	0.837	2	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	125.0084	0.491	7	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	125.0210	0.000	1	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<4>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	125.3510	0.000	1	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.4560	0.000	1	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|Cl<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.4960	0.024	2	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.9504	0.433	7	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.7255	0.409	20	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	126.1263	0.144	3	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.2189	0.595	7	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.8010	0.468	2	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1080	0.000	1	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.7097	0.861	3	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.7750	0.049	2	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	126.2800	0.000	1	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	125.6565	0.466	13	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.8100	0.000	1	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.6580	0.578	4	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.4210	0.000	1	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.4860	0.634	3	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.5178	0.553	5	125.5770	0.276	89	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.6442	0.358	6	125.8420	0.194	23	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.9118	0.455	17	125.8420	0.194	23	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.7467	0.319	3	125.5432	0.247	38	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.5492	0.499	31	125.5432	0.247	38	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.2110	0.610	2	125.5432	0.247	38	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8780	0.000	1	125.5432	0.247	38	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	126.0780	0.000	1	125.5432	0.247	38	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.7730	0.000	1	125.7730	0.000	1	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2939	0.530	13	124.2939	0.281	13	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8413	0.555	4	124.8413	0.309	4	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|P<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7390	0.000	1	124.7390	0.000	1	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.7207	1.105	3	125.7207	1.221	3	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1160	0.079	2	125.1160	0.006	2	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|S<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.6960	0.000	1	122.6960	0.000	1	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(OC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(CCHH)	126.0770	0.000	1	126.0770	0.000	1	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)2(OC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)2(OC){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.5753	4.844	6	119.4437	23.138	8	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)2(OC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)2(OC){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.0490	6.651	2	119.4437	23.138	8	124.3266	7.377	1032	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[4])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[4]C[4]2H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[4]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(C[4]C[4]2H)	125.0750	0.000	1	125.0750	0.000	1	125.0750	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	126.0220	0.907	4	126.0220	0.822	4	126.0220	0.822	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2S)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(PC[6a]2S)	124.7100	0.000	1	124.7100	0.000	1	121.9214	8.027	7	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Se)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(PC[6a]2Se)	125.1480	0.000	1	125.1480	0.000	1	121.9214	8.027	7	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POOS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(POOS)	118.5645	0.074	2	118.5645	0.006	2	121.9214	8.027	7	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OP){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(PC[6a]2O)	122.1543	1.906	3	122.1543	3.635	3	121.9214	8.027	7	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(P[6]O[6]2O)	115.8205	0.209	2	115.8205	0.044	2	115.8205	0.044	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OS){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|Br<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(SCOO)	119.4915	1.060	2	119.4915	1.124	2	119.4957	3.101	23	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OS){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.1288	0.826	12	119.1288	0.682	12	119.4957	3.101	23	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.6326	1.753	5	118.6326	3.074	5	119.4957	3.101	23	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SNOO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(SNOO)	121.6775	2.764	4	121.6775	7.638	4	119.4957	3.101	23	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OSi){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(SiC3)	118.6690	0.000	1	118.6690	0.000	1	118.6690	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.1615	0.401	2	117.1615	0.161	2	117.6753	2.782	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(I){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3010	0.000	1	116.3010	0.000	1	117.6753	2.782	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(I){1|I<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.0770	0.000	1	120.0770	0.000	1	117.6753	2.782	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OC){1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.4260	0.027	2	122.4260	0.001	2	118.4411	2.257	22	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.4675	0.695	2	118.4675	0.483	2	118.4411	2.257	22	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.8385	0.351	2	117.9954	0.681	18	118.4411	2.257	22	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.8900	0.810	16	117.9954	0.681	18	118.4411	2.257	22	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Si)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(BN[6]OO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Si)(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(BN[6]OO)	118.6957	0.299	3	118.6957	0.090	3	118.6957	0.090	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:B[6]-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OB[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(B[6]O[6]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OB[6]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){3|C<3>}	O(C[6a]C[6a]2)(B[6]O[6]2O)	119.4975	0.047	2	119.4975	0.002	2	119.4975	0.002	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	120.2910	0.000	1	120.2910	0.000	1	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	120.1250	0.000	1	120.1250	0.000	1	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6255	1.090	2	116.2710	0.487	5	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.2810	0.000	1	116.2710	0.487	5	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2650	0.000	1	116.2710	0.487	5	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5580	0.000	1	116.2710	0.487	5	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1400	0.000	1	115.1400	0.000	1	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.9995	0.271	4	119.9995	0.074	4	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Br){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2410	1.107	2	119.2410	1.226	2	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.9280	0.000	1	116.9280	0.000	1	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.3560	0.000	1	115.3560	0.000	1	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9125	0.386	4	115.9125	0.149	4	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.9030	0.078	2	120.9030	0.006	2	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]CH)	121.4365	0.599	2	121.4365	0.359	2	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	120.7595	0.284	2	120.7595	0.080	2	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.1700	0.492	2	119.1700	0.242	2	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	121.5510	0.000	1	121.5510	0.000	1	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.3190	0.082	2	121.3190	0.007	2	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]O)2(Br)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	120.4317	0.259	16	120.4317	0.067	16	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]O)2(Br)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CHHO)	118.7666	0.300	8	118.7666	0.090	8	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	123.7260	0.000	1	123.7260	0.000	1	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.0018	0.242	4	116.9180	0.079	5	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.5830	0.000	1	116.9180	0.079	5	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	116.7540	0.000	1	116.6660	0.562	8	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	116.6534	0.809	7	116.6660	0.562	8	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	117.5720	0.328	2	117.5170	0.146	5	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.7180	0.000	1	117.5170	0.146	5	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	117.3615	0.619	2	117.5170	0.146	5	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	116.5470	0.000	1	116.5470	0.000	1	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.4520	0.000	1	116.9592	0.305	52	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.8055	0.008	2	116.9592	0.305	52	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.8060	0.306	5	116.9592	0.305	52	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.2340	0.447	2	116.9592	0.305	52	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.6310	0.000	1	116.9592	0.305	52	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.2975	0.153	2	116.9592	0.305	52	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.9428	0.315	8	116.9592	0.305	52	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4545	1.500	2	116.9592	0.305	52	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.2970	0.000	1	116.9592	0.305	52	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	116.6870	0.000	1	116.9592	0.305	52	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.2288	0.604	9	116.9592	0.305	52	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.3940	0.000	1	116.9592	0.305	52	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.7932	0.617	14	116.9592	0.305	52	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.3667	0.075	3	116.9592	0.305	52	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.7070	0.000	1	116.7070	0.000	1	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(Br)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.2960	0.082	2	116.1123	0.347	4	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(Br)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.9285	0.948	2	116.1123	0.347	4	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9220	0.000	1	116.4388	0.271	5	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5680	0.500	4	116.4388	0.271	5	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.1960	0.000	1	121.1960	0.000	1	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.6740	0.000	1	120.6740	0.000	1	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.6193	1.036	3	121.6193	1.074	3	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	119.6033	1.470	3	119.6033	2.162	3	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.8390	0.000	1	121.8390	0.000	1	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|Pt<4>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	117.9875	0.064	2	118.8222	0.932	4	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|Pt<6>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6570	0.068	2	118.8222	0.932	4	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)2(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(Br){2|Br<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.7865	1.611	2	119.7865	2.597	2	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)2(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	121.5955	1.372	2	120.9240	2.295	3	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	119.5810	0.000	1	120.9240	2.295	3	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHH)	122.2100	2.468	2	122.2100	6.090	2	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.5230	0.214	2	121.5482	0.647	5	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.9485	0.510	2	121.5482	0.647	5	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	122.7980	0.000	1	121.5482	0.647	5	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(Br)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OC){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(Br){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	122.8060	0.000	1	122.8060	0.000	1	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a]O)2(Br)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.4850	0.000	1	119.4850	0.000	1	118.3388	4.191	164	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	118.6200	3.186	2	119.1237	5.837	3	119.1237	5.837	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	120.1310	0.000	1	119.1237	5.837	3	119.1237	5.837	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PO3)	118.4845	0.569	2	118.4845	0.324	2	118.4845	0.324	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SCOO)	118.2285	0.800	2	118.2285	0.640	2	118.6111	0.752	8	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.4130	0.796	4	118.4130	0.633	4	118.6111	0.752	8	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(SNOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SNOO)	118.6610	0.000	1	118.6610	0.000	1	118.6111	0.752	8	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.1190	0.000	1	120.1190	0.000	1	118.6111	0.752	8	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiC3)	118.6480	0.000	1	118.6480	0.000	1	118.6480	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.7780	0.000	1	116.7780	0.000	1	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.9975	0.056	2	115.9975	0.003	2	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OC)	C[6a](C[6a]C[6a]O)2(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OC){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[6a](C[6a]C[6a]O)2(Cl){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.0965	0.142	2	121.0965	0.020	2	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OC){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5680	2.906	4	123.5680	8.442	4	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.6730	0.000	1	120.7200	0.004	2	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.7670	0.000	1	120.7200	0.004	2	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	122.1415	0.028	2	122.1415	0.001	2	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.4560	0.000	1	120.4560	0.000	1	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Br<1>,1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.3475	0.145	2	116.3475	0.021	2	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.4460	0.000	1	116.2190	0.094	3	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1055	0.332	2	116.2190	0.094	3	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.2413	0.791	3	116.2445	0.417	4	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.2540	0.000	1	116.2445	0.417	4	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7850	0.000	1	115.7850	0.000	1	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	116.7540	0.000	1	116.0589	0.243	8	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.7580	0.000	1	116.0589	0.243	8	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	116.1140	0.000	1	116.0589	0.243	8	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.9185	0.586	4	116.0589	0.243	8	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	116.1710	0.000	1	116.0589	0.243	8	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.5430	0.068	2	116.4189	0.371	56	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.7057	0.694	3	116.4189	0.371	56	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.3055	0.490	2	116.4189	0.371	56	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8770	0.000	1	116.4189	0.371	56	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.4230	0.000	1	116.4189	0.371	56	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	117.2170	0.000	1	116.4189	0.371	56	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.8590	0.359	4	116.4189	0.371	56	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.3699	0.659	33	116.4189	0.371	56	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.7170	0.740	2	116.4189	0.371	56	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.5786	0.324	7	116.4189	0.371	56	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CC[3x6]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[3x6]HH)	117.0860	0.000	1	117.0860	0.000	1	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	116.2115	0.125	2	116.2115	0.016	2	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.4600	0.000	1	116.1255	0.342	4	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.1020	0.273	2	116.1255	0.342	4	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.8380	0.000	1	116.1255	0.342	4	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	117.2940	0.000	1	117.0088	0.960	19	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	119.0950	2.167	2	117.0088	0.960	19	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6713	0.483	7	117.0088	0.960	19	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	116.4890	0.000	1	117.0088	0.960	19	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.4040	0.000	1	117.0088	0.960	19	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	116.6070	0.000	1	117.0088	0.960	19	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.9142	0.389	6	117.0088	0.960	19	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1210	0.633	8	116.1210	0.401	8	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CC[5,5]CH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[5,5]CH)	118.3260	0.000	1	118.3260	0.000	1	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.8620	0.000	1	120.3377	0.767	10	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.5480	0.394	6	120.3377	0.767	10	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.0960	0.000	1	120.3377	0.767	10	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.5655	2.082	2	120.3377	0.767	10	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.6785	0.299	2	120.6785	0.089	2	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.3585	2.548	2	120.3585	6.491	2	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)2(OC){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.3385	0.418	2	120.4370	0.078	4	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)2(OC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.5355	0.145	2	120.4370	0.078	4	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHH)	121.5577	1.244	4	121.4691	1.189	14	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.8805	0.037	2	121.4691	1.189	14	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	121.8855	0.914	2	121.4691	1.189	14	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CCHH)	121.4675	1.334	6	121.4691	1.189	14	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	121.0905	0.762	2	121.0905	0.580	2	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]O)2(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(Cl){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.3920	0.013	2	120.2417	0.152	4	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)2(OC)	C[6a](C[6a]C[6a]O)2(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)2(OC){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.0915	0.605	2	120.2417	0.152	4	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(OC){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.5255	0.199	2	120.5255	0.039	2	117.9012	5.565	163	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(C[4]C[4]2H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[4]C[4]2H)	115.6955	0.227	2	115.6955	0.052	2	115.6955	0.052	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[5]){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	121.1440	0.000	1	121.1440	0.000	1	121.1440	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6]){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(C[6]C[6]2O)	120.2620	0.000	1	120.2620	0.000	1	120.2620	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PO3)	118.8870	0.000	1	118.8870	0.000	1	118.6548	2.422	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(POOS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(POOS)	119.0090	0.000	1	119.0090	0.000	1	118.6548	2.422	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ni)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ni)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|Ni<4>,1|C<3>}	O(C[6a]C[6a]2)(PNiCC)	120.2130	0.259	2	120.2130	0.067	2	118.6548	2.422	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(PC[6a]CO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OP){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(PC[6a]CO)	117.0790	0.000	1	117.0790	0.000	1	118.6548	2.422	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OP){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<3>}	O(C[6a]C[6a]2)(PO3)	116.5280	0.000	1	116.5280	0.000	1	118.6548	2.422	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(SCOO)	118.8900	0.000	1	118.8900	0.000	1	119.0761	1.230	10	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.8195	0.192	2	118.1756	0.242	5	119.0761	1.230	10	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.4130	0.504	3	118.1756	0.242	5	119.0761	1.230	10	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Cl)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]Cl)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(SO3)	120.2482	0.414	4	120.2482	0.172	4	119.0761	1.230	10	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OSi){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(SiC3)	121.0550	0.000	1	121.0550	0.000	1	121.0550	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]F)2(OB)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(OB){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(BC[6a]2O)	122.0750	2.879	2	122.0750	8.291	2	122.0750	8.291	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F)(OC){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]O)(F){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.5050	0.000	1	119.5050	0.000	1	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC){1|F<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(F){1|O<2>,1|S<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.7650	0.000	1	118.7650	0.000	1	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC){1|F<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(CC3)	122.5560	0.000	1	122.5560	0.000	1	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.8510	0.000	1	118.8510	0.000	1	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC){1|Br<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(F){1|C<2>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(CC3)	122.2950	0.735	2	122.2950	0.541	2	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC){1|Pt<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9660	0.000	1	124.9660	0.000	1	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.9545	0.271	2	115.7695	0.106	4	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|Ir<6>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.5845	0.327	2	115.7695	0.106	4	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.8080	0.000	1	116.1097	0.380	3	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.7605	0.168	2	116.1097	0.380	3	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9690	0.000	1	116.5828	0.379	11	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0450	0.000	1	116.5828	0.379	11	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	116.5890	0.482	3	116.5828	0.379	11	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.1005	0.615	4	116.5828	0.379	11	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1140	0.115	2	116.5828	0.379	11	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(F){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3950	0.000	1	115.3950	0.000	1	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(OC){1|C<3>,1|F<1>,1|P<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(F){1|C<3>,1|O<2>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	117.9920	0.000	1	117.9920	0.000	1	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)2(OC){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.4830	0.000	1	119.4830	0.000	1	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<2>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(CCCH)	121.1665	0.054	2	121.5028	2.766	6	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|I<1>}	O(C[6a]C[6a]2)(CCCH)	121.6710	2.120	4	121.5028	2.766	6	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<2>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(CCHH)	121.6033	5.497	4	121.6062	9.100	38	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|I<1>}	O(C[6a]C[6a]2)(CCHH)	121.6535	2.376	20	121.6062	9.100	38	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	121.5660	3.380	2	121.6062	9.100	38	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(CCHH)	121.9493	2.349	4	121.6062	9.100	38	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	121.3280	3.959	8	121.6062	9.100	38	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|I<1>}	O(C[6a]C[6a]2)(CC[5]HH)	121.3826	3.218	8	121.3826	10.359	8	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|I<1>}	O(C[6a]C[6a]2)(CC[6]HH)	121.6667	2.663	4	121.6667	7.092	4	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|I<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	121.5835	3.315	12	121.5835	10.992	12	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<2>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(CH3)	121.5358	4.287	8	121.8747	8.863	23	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.5980	4.412	2	121.8747	8.863	23	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|Pt<4>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(CH3)	121.8537	2.252	8	121.8747	8.863	23	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|Pt<5>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(CH3)	122.5335	1.623	4	121.8747	8.863	23	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)2(OC){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.6720	0.000	1	121.8747	8.863	23	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	121.5725	1.572	2	121.5725	2.471	2	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)2(OC){1|Ti<7>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.1520	0.000	1	119.1520	0.000	1	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(OC)	C[6a](C[6a]C[6a]Ti)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)2(OC){1|Ti<7>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ti)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	126.1780	0.000	1	126.1780	0.000	1	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(CIrHH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]F)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|Ir<5>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(CIrHH)	117.4920	0.000	1	117.4920	0.000	1	120.7402	10.691	124	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]F)2(OC[5])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(C[5]O[5]2O)	C[6a](C[6a]C[6a]F)2(OC[5]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(C[5]O[5]2O)	120.5473	1.405	4	120.5473	1.973	4	120.5473	1.973	4	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6])	C[6a](C[6a]C[6a]O)2(F)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6]){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(F){1|C<2>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	121.9870	0.000	1	123.4893	1.996	3	121.8031	3.592	9	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6])	C[6a](C[6a]C[6a]O)2(F)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(F){1|C<2>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	124.2405	0.779	2	123.4893	1.996	3	121.8031	3.592	9	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)2(OC[6])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]F)2(OC[6]){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<2>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	123.4580	0.000	1	121.7687	2.155	3	121.8031	3.592	9	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)2(OC[6])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]F)2(OC[6]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<2>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	120.9240	0.173	2	121.7687	2.155	3	121.8031	3.592	9	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)2(OC[6])	C[6a](C[6a]C[6a]O)2(F)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]F)2(OC[6]){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(F){1|C<2>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	118.8800	0.000	1	120.1513	1.857	3	121.8031	3.592	9	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)2(OC[6])	C[6a](C[6a]C[6a]O)2(F)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]F)2(OC[6]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(F){1|C<2>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	120.7870	1.136	2	120.1513	1.857	3	121.8031	3.592	9	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]F)2(OP)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(PIrOO)	C[6a](C[6a]C[6a]F)2(OP){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(PIrOO)	120.2386	1.502	12	120.2386	2.257	12	120.4408	4.075	24	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]F)2(OP)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a]F)2(OP){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(PNOO)	120.6431	2.485	12	120.6431	6.173	12	120.4408	4.075	24	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]F)2(OP[6])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]F)2(OP[6]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	120.4310	1.568	12	120.4310	2.459	12	120.4310	2.459	12	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:As-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OAs)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(AsIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OAs){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(AsIrCC)	116.7615	0.132	2	116.7615	0.017	2	116.7615	0.017	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BO[5]OO)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OB){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(BO[5]OO)	116.3647	0.487	3	116.3647	0.238	3	118.8580	6.272	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BC[6a]OO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(BC[6a]OO)	116.9390	1.097	2	116.9390	1.204	2	118.8580	6.272	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BO3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(BO3)	117.7114	0.953	14	117.7114	0.908	14	118.8580	6.272	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BO3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(BO3)	119.0545	0.488	32	119.0545	0.238	32	118.8580	6.272	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BN[6]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(BN[6]OO)	117.6310	0.878	3	117.6310	0.771	3	118.8580	6.272	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BO3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(BO3)	117.3217	1.321	3	117.3217	1.745	3	118.8580	6.272	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]H)2(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BC[6a]3)	C[6a](C[6a]C[6a]H)2(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(BC[6a]3)	120.6096	4.251	16	120.6096	18.072	16	118.8580	6.272	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]H)2(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BO3)	C[6a](C[6a]C[6a]H)2(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(BO3)	120.7043	3.700	8	120.7043	13.689	8	118.8580	6.272	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BN[6]OO)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(BN[6]OO)	117.1823	0.606	6	117.1823	0.368	6	118.8580	6.272	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BO3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(BO3)	117.7343	2.157	3	117.7343	4.653	3	118.8580	6.272	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:	C[6a](C[6a]C[6a]H)2(OB[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(B[6]N[6]2F)	C[6a](C[6a]C[6a]H)2(OB[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(B[6]N[6]2F)	119.9060	2.246	2	119.9060	5.043	2	119.9060	5.043	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	125.4380	0.000	1	125.0620	0.250	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	124.8740	0.536	2	125.0620	0.250	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.6380	0.000	1	124.7127	0.012	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.7500	0.129	2	124.7127	0.012	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]B[6,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]B[6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|B<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.9360	0.000	1	122.9360	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,3|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.8095	0.122	2	123.8095	0.015	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9780	0.000	1	123.9780	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.4640	0.000	1	122.0637	0.176	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	121.6280	0.000	1	122.0637	0.176	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.0990	0.000	1	122.0637	0.176	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	122.2210	0.000	1	122.2210	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.6800	0.000	1	124.0485	0.798	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.4170	0.000	1	124.0485	0.798	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.9030	0.000	1	120.9030	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.4535	0.581	2	121.4535	0.337	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	122.1220	0.000	1	122.1220	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	123.9790	0.000	1	123.9790	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	123.8655	0.462	2	123.8655	0.213	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.5783	0.800	3	122.9694	0.718	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	123.5560	0.668	2	122.9694	0.718	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	122.1470	0.000	1	122.1470	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.4298	0.407	19	123.4298	0.166	19	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5870	0.127	2	124.5870	0.016	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.2910	0.000	1	116.8410	22.956	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	113.7390	0.000	1	116.8410	22.956	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.1670	6.784	2	116.8410	22.956	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6]HH)	123.4425	3.368	8	123.4425	11.344	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.9700	6.835	2	119.6418	34.248	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.5860	0.000	1	119.6418	34.248	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.0410	0.000	1	119.6418	34.248	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CF3)	117.9358	2.738	5	117.6184	4.774	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CF3)	117.1610	1.982	5	117.6184	4.774	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CF3)	118.3180	0.000	1	117.6184	4.774	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.7992	4.621	28	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.2709	4.564	40	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.1187	4.462	6	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.9061	4.463	30	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.3055	0.231	2	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	113.9060	0.000	1	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	121.0033	4.449	15	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	118.7240	5.114	2	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	114.4770	0.460	3	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.3970	4.739	4	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4790	0.000	1	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3493	0.662	6	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8075	6.819	2	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	118.4720	4.385	5	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.9735	0.697	2	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.6313	4.324	7	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.0005	0.204	4	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.7540	0.209	2	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	125.2940	0.000	1	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.3569	4.807	16	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4745	0.132	4	119.4998	21.698	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1390	2.349	13	115.5738	9.577	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.2243	0.704	3	115.5738	9.577	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5154	4.011	16	115.5738	9.577	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0571	3.609	11	115.5738	9.577	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.1432	0.247	4	115.5738	9.577	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.3340	0.519	4	115.5738	9.577	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]Ir)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]Ir)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|Ir<8>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.7010	0.000	1	122.7010	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	122.9910	0.000	1	122.9910	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.3800	0.218	2	125.1390	0.198	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.6570	0.000	1	125.1390	0.198	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC3)	118.3530	0.000	1	118.3530	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.1170	0.000	1	124.4201	0.355	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6265	1.070	2	124.4201	0.355	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.0920	0.000	2	124.4201	0.355	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.5400	0.000	1	124.4201	0.355	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.3675	0.545	4	124.4201	0.355	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2385	0.380	2	124.4201	0.355	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.3120	0.000	1	124.3120	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.5077	0.510	3	121.5077	0.260	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.6040	0.374	7	122.6040	0.140	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.7340	0.000	1	122.1537	3.318	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.0570	1.976	6	122.1537	3.318	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	114.0270	0.000	1	114.0270	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	113.6820	0.464	2	114.2440	0.494	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8060	0.047	2	114.2440	0.494	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	113.9630	0.000	1	113.9630	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCHH)	114.1940	0.000	1	115.7865	8.863	27	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	115.0100	0.000	1	115.7865	8.863	27	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCHH)	115.5807	3.115	9	115.7865	8.863	27	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.1874	4.623	7	115.7865	8.863	27	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	114.7225	0.115	2	115.7865	8.863	27	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.2927	0.746	7	115.7865	8.863	27	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.2617	0.433	13	114.2617	0.188	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CF3)	117.0815	2.420	4	117.0815	5.857	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	116.4215	5.465	4	116.1839	13.284	245	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	118.0547	5.298	3	116.1839	13.284	245	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	114.3857	0.515	7	116.1839	13.284	245	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1946	3.647	38	116.1839	13.284	245	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.2990	0.000	1	116.1839	13.284	245	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.6674	4.914	5	116.1839	13.284	245	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	116.3062	3.673	18	116.1839	13.284	245	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	119.7415	6.919	2	116.1839	13.284	245	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.0343	0.293	4	116.1839	13.284	245	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	113.4495	0.368	2	116.1839	13.284	245	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	116.1041	3.597	144	116.1839	13.284	245	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.7337	4.684	11	116.1839	13.284	245	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	114.5336	0.349	5	116.1839	13.284	245	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	113.7180	0.000	1	116.1839	13.284	245	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	114.1240	0.127	2	116.6550	21.843	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.1860	6.316	2	116.6550	21.843	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	112.7207	0.384	3	114.4679	10.164	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.4800	6.927	2	114.4679	10.164	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	113.9114	0.272	5	114.4679	10.164	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|I<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	122.7710	0.000	1	122.7710	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6770	0.593	3	124.6770	0.352	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	124.6480	0.000	1	124.6480	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.3945	0.455	2	123.3945	0.207	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9840	0.000	1	123.9840	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2680	0.000	1	123.2680	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	115.2050	1.786	2	121.1290	22.442	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	123.2135	0.795	2	121.1290	22.442	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	124.9685	0.152	2	121.1290	22.442	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.2310	0.677	7	123.1004	5.595	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.7076	0.418	12	123.1004	5.595	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.1350	0.000	1	123.1004	5.595	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.9573	2.815	7	123.1004	5.595	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.3250	0.231	3	123.1004	5.595	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.1290	0.000	1	123.1004	5.595	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.6320	1.216	2	123.1004	5.595	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.4017	0.815	3	124.1169	0.380	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.0325	0.320	2	124.1169	0.380	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.3510	0.000	1	124.1169	0.380	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.1970	0.000	1	124.1169	0.380	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3345	0.521	4	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.5090	0.000	1	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9510	0.968	7	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1450	0.000	1	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0805	0.161	2	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9310	0.240	2	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9167	0.116	4	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8180	0.420	4	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1495	0.512	4	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7240	0.000	1	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.7630	0.000	1	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8298	0.314	5	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.7795	0.309	2	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3606	0.320	9	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.6550	0.000	1	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1445	0.713	2	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3910	1.638	13	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5276	0.258	5	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9660	0.372	3	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.4670	0.000	1	123.6205	0.821	72	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	123.1695	0.387	4	123.1695	0.150	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	123.9490	0.000	1	123.9490	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[6a](C[6a]C[6a]O)2(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.6600	0.000	1	123.0402	0.279	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5095	0.340	2	123.0402	0.279	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.4100	0.000	1	123.0402	0.279	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.6220	0.000	1	123.0402	0.279	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0803	0.587	6	123.0402	0.279	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){2|C<3>,3|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2890	0.000	1	123.0402	0.279	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.1740	4.917	4	120.1740	24.176	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.7092	4.966	5	120.7092	24.659	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.1985	0.357	2	114.1985	0.128	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6000	0.000	1	124.5123	0.495	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4685	0.989	2	124.5123	0.495	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	124.6130	0.000	1	124.4470	0.062	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	124.4055	0.267	4	124.4470	0.062	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	123.5000	0.000	1	123.5000	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.5490	0.000	1	124.5490	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	122.8240	0.000	1	122.8240	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	122.8440	0.000	1	121.7715	2.301	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.6990	0.000	1	121.7715	2.301	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3910	0.000	1	123.3910	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.6280	2.452	8	122.1095	5.715	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0355	0.278	2	122.1095	5.715	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.2705	0.166	2	119.2705	0.028	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0500	0.000	1	124.0500	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]B[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|B<3>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6,6a]B[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	114.8370	0.000	1	114.8370	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	116.2440	0.000	1	116.2440	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4400	0.000	1	114.9099	0.234	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	114.7815	0.436	4	114.9099	0.234	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.8028	0.570	4	114.9099	0.234	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3220	0.000	1	114.9099	0.234	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1220	0.000	1	115.1220	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|B<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.0510	0.000	1	122.6388	16.951	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.7440	0.000	1	122.6388	16.951	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	125.1990	0.122	2	122.6388	16.951	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.6350	0.000	1	122.6388	16.951	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.8931	0.349	11	122.6388	16.951	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.5360	0.013	2	122.6388	16.951	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.3190	0.000	1	122.6388	16.951	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	115.1855	0.074	2	122.6388	16.951	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]CH)	124.6190	0.000	1	124.6190	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.8934	4.681	5	120.5447	22.792	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.5190	0.000	1	120.5447	22.792	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.8270	0.000	1	120.5447	22.792	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CF3)	119.8044	2.071	5	119.4528	4.172	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CF3)	117.6950	0.000	1	119.4528	4.172	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|B<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2190	0.000	1	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	114.8620	0.000	1	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.9776	4.351	117	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	115.8080	0.000	1	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	119.9582	4.416	52	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.3353	4.621	18	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	124.3430	0.014	2	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.8048	4.367	66	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6380	0.075	3	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.6230	0.000	1	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.7940	0.351	2	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	115.2820	0.000	1	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.2457	5.626	3	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	120.6110	5.637	2	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.5217	4.457	4	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	125.2150	0.000	1	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	118.5154	4.387	21	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.5770	0.000	1	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.3164	3.933	26	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.7970	6.283	2	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4500	0.000	1	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	117.7915	4.159	4	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	115.3230	0.065	2	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9420	0.000	1	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.5221	4.523	25	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.0276	3.188	37	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.7868	3.463	13	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	123.6125	0.531	2	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4526	0.719	12	118.9502	20.098	422	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CHHO)	125.7980	0.000	1	125.7980	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	123.9270	0.000	1	123.9270	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8095	0.319	2	124.8095	0.102	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[3]HH)	124.4140	0.000	1	124.4140	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5479	5.148	22	118.1141	24.221	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	123.5040	0.000	1	118.1141	24.221	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.4803	3.717	11	118.1141	24.221	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	121.4223	4.836	4	118.1141	24.221	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6053	1.220	3	118.1141	24.221	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6233	0.281	13	118.1141	24.221	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.6878	4.950	6	118.1141	24.221	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4024	0.551	7	118.1141	24.221	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	112.9200	0.000	1	118.1141	24.221	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	123.6780	0.000	1	118.1141	24.221	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.7083	4.682	20	118.1141	24.221	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	124.1080	0.000	1	124.1080	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.2450	0.000	1	123.2450	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6270	0.000	1	124.6270	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.6985	0.129	2	125.3610	0.350	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6860	0.000	1	125.3610	0.350	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7090	0.000	1	124.7090	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7317	0.778	9	124.7200	0.487	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6675	0.145	2	124.7200	0.487	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.5860	0.000	1	123.5860	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.9270	0.000	1	115.9270	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8773	0.680	49	124.7359	0.528	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9363	0.411	12	124.7359	0.528	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.6900	0.000	1	124.7359	0.528	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7180	0.529	2	124.7359	0.528	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.6513	0.931	8	124.7359	0.528	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1728	0.717	17	124.7359	0.528	89	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1960	0.000	1	125.1960	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.2935	0.261	2	125.2935	0.068	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.5060	0.000	1	124.6347	0.426	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2690	0.000	1	124.6347	0.426	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8820	1.003	2	124.6347	0.426	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.1790	0.000	1	123.1790	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5743	0.494	7	123.5743	0.244	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CCCH)	122.4090	0.000	1	122.4090	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.0852	1.226	17	122.4431	0.967	37	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.7474	0.594	20	122.4431	0.967	37	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	121.7130	0.000	1	121.7130	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	122.6050	0.000	1	122.6050	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5070	0.597	5	122.3017	1.410	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.1440	1.092	46	122.3017	1.410	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.8848	0.644	81	122.3017	1.410	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.4020	0.000	1	118.4020	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.0210	0.000	1	123.0210	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.2100	1.250	3	121.9770	0.888	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.6275	0.152	2	121.9770	0.888	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.8970	0.000	1	121.8970	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.3360	0.000	1	122.0193	1.063	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1130	0.000	1	122.0193	1.063	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.0580	0.000	1	122.0193	1.063	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.6300	0.297	2	122.0193	1.063	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|Ru<10>,1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.3490	0.000	1	122.0193	1.063	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.1410	0.307	2	122.1410	0.094	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.8730	0.000	1	123.1392	0.201	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2910	0.529	2	123.1392	0.201	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.6660	0.000	1	123.1392	0.201	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.8570	0.416	2	123.1392	0.201	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CHHO)	121.9050	0.000	1	121.9050	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	121.8250	0.000	1	121.8250	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.8285	3.169	2	121.6912	3.268	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.2663	0.524	3	121.6912	3.268	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.3120	1.943	4	116.3120	3.775	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CCCH)	118.3380	1.771	2	118.3380	3.135	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.8855	1.833	62	120.8855	3.360	62	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[5]HH)	121.1168	1.873	14	121.1168	3.510	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	121.1460	1.310	10	121.1460	1.715	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[6a]CH)	118.8700	0.000	2	118.8700	0.000	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.4389	2.529	17	120.4389	6.394	17	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0930	0.000	1	122.8699	1.078	44	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3070	0.000	1	122.8699	1.078	44	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9580	0.000	1	122.8699	1.078	44	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.8516	1.073	41	122.8699	1.078	44	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CHHO)	120.1574	2.585	23	120.1574	6.685	23	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8165	0.237	2	123.8165	0.056	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0890	0.000	1	125.0890	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9280	0.000	1	123.9280	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CF3)	116.6820	0.000	1	116.6820	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.7206	4.990	5	118.0072	22.978	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.4400	0.000	1	118.0072	22.978	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CF3)	118.3895	0.504	2	118.3895	0.254	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.3840	0.000	1	114.3840	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	115.5840	0.000	1	115.5840	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCHH)	114.7900	0.000	1	116.1147	15.657	82	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.2615	5.200	6	116.1147	15.657	82	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.0540	4.722	24	116.1147	15.657	82	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCHH)	114.3870	0.476	3	116.1147	15.657	82	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	114.3873	2.058	48	116.1147	15.657	82	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	124.2030	0.000	1	117.6377	32.329	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	114.3550	0.052	2	117.6377	32.329	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.3020	0.755	2	115.7240	13.510	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	113.8825	0.185	2	115.7240	13.510	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.8860	0.000	1	115.7240	13.510	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	113.9065	0.303	2	115.7240	13.510	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	114.2725	0.752	8	115.1676	7.183	470	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.5770	0.000	1	115.1676	7.183	470	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5744	0.361	5	115.1676	7.183	470	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0630	0.000	1	115.1676	7.183	470	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1209	2.957	42	115.1676	7.183	470	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9960	0.000	1	115.1676	7.183	470	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	114.6734	2.171	77	115.1676	7.183	470	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	118.7088	4.676	5	115.1676	7.183	470	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.4498	4.669	25	115.1676	7.183	470	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.7258	1.999	305	115.1676	7.183	470	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CHHO)	115.3040	0.000	1	115.3040	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	114.1930	0.291	2	114.1930	0.085	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	117.3070	6.002	3	117.3070	36.020	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.8650	3.559	7	115.2960	10.779	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	113.3045	0.228	2	115.2960	10.779	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.9077	0.302	4	114.9077	0.091	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	113.9020	0.102	2	116.1121	13.289	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2892	3.566	25	116.1121	13.289	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.4510	5.312	4	116.1121	13.289	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8591	3.596	37	116.1121	13.289	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0425	0.288	2	124.0425	0.083	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8020	0.000	1	123.8020	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3540	0.827	3	124.3540	0.683	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0000	0.000	1	123.5586	0.344	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	123.4145	0.359	10	123.5586	0.344	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1950	0.000	1	124.6487	0.303	24	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9100	0.000	1	124.6487	0.303	24	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7207	0.364	8	124.6487	0.303	24	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3483	1.001	3	124.6487	0.303	24	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4230	0.413	11	124.6487	0.303	24	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0520	0.000	1	124.0520	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3870	0.245	2	123.3066	0.408	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9420	0.000	1	123.3066	0.408	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1474	0.750	5	123.3066	0.408	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|Se<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.9835	0.674	2	121.9835	0.454	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5830	0.000	1	123.5830	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.5063	0.775	12	123.5063	0.601	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3350	0.000	1	122.7797	0.748	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	122.5193	0.967	6	122.7797	0.748	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	123.4980	0.000	1	122.7797	0.748	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0680	0.000	1	122.7797	0.748	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.4100	0.000	1	123.4100	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.2265	1.138	2	120.4942	6.885	19	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.0340	0.000	1	120.4942	6.885	19	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.3064	2.226	16	120.4942	6.885	19	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8150	0.606	6	123.1104	1.627	17	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.4780	0.000	1	123.1104	1.627	17	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.6508	1.452	10	123.1104	1.627	17	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	118.6700	0.000	1	118.6700	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.0390	0.000	1	123.0390	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	119.1805	0.043	2	121.5712	6.352	20	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	119.7715	0.049	2	121.5712	6.352	20	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	122.6596	2.791	7	121.5712	6.352	20	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	124.6250	0.214	2	121.5712	6.352	20	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	119.6930	0.000	1	121.5712	6.352	20	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	120.9933	2.168	6	121.5712	6.352	20	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCO)	119.4925	0.403	4	119.3376	0.100	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCO)	119.1390	0.062	2	119.3376	0.100	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CCCO)	119.2265	0.091	2	119.3376	0.100	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.6320	0.000	1	122.1628	6.016	49	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.5255	2.026	2	122.1628	6.016	49	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.5228	3.192	12	122.1628	6.016	49	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.7410	0.529	2	122.1628	6.016	49	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.2440	0.000	1	122.1628	6.016	49	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.1055	0.224	2	122.1628	6.016	49	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.6727	2.040	24	122.1628	6.016	49	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.7330	0.000	1	122.1628	6.016	49	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.3015	0.154	4	122.1628	6.016	49	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[3]HH)	121.5295	0.903	4	121.5295	0.816	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	122.5447	0.821	4	122.5447	0.674	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	122.8800	0.402	2	122.8800	0.161	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5447	0.228	3	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9540	0.501	2	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2413	0.738	3	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9690	0.400	8	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9277	0.165	3	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8480	0.304	2	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8330	0.731	33	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9040	0.000	1	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9359	1.073	9	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9690	0.000	1	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|S<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4195	0.062	2	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4490	0.144	2	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9030	0.567	2	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6450	0.000	1	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1225	0.768	12	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2618	1.302	6	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0340	0.000	1	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5190	0.000	1	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3600	0.076	2	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1860	0.774	4	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9220	0.000	1	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.6230	0.000	1	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5336	0.661	5	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5735	0.298	2	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3340	0.457	5	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0586	0.399	36	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0410	0.000	1	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0610	0.000	1	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0090	0.000	1	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4130	0.324	2	123.8928	0.481	153	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	123.4938	1.099	4	123.5852	0.948	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CHHO)	123.9510	0.000	1	123.5852	0.948	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHP)	118.8513	0.271	3	118.8513	0.074	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3030	0.000	1	124.3030	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	122.9905	0.684	2	122.7292	0.334	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	122.5550	0.565	3	122.7292	0.334	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.4920	0.000	1	123.0866	0.323	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.8475	0.210	2	123.0866	0.323	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9790	0.000	1	123.0866	0.323	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1527	0.660	9	123.0866	0.323	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.8995	0.555	2	123.0866	0.323	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0844	0.599	18	123.0866	0.323	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	125.0480	0.000	1	125.0480	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	123.8322	1.054	5	123.9049	0.692	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	123.9958	0.588	4	123.9049	0.692	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.4715	0.719	4	124.5604	0.427	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.9160	0.000	1	124.5604	0.427	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	122.7270	0.000	1	122.7270	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|B<3>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9870	0.030	2	122.9870	0.001	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	122.3135	0.709	2	122.3135	0.503	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	121.3175	0.924	2	121.3175	0.854	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CF3)	118.2250	0.120	2	117.7185	0.359	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|B<3>}	O(C[6a]C[6a]2)(CF3)	117.2120	0.190	2	117.7185	0.359	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|Br<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6670	0.000	1	124.6670	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.3765	0.019	2	124.3765	0.000	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.7660	0.000	1	124.7660	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	125.0320	0.379	2	124.9112	0.123	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.7905	0.409	2	124.9112	0.123	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.7590	0.052	2	124.5721	0.247	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.6835	0.470	2	124.5721	0.247	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3978	0.426	4	124.5721	0.247	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	125.7040	0.000	1	124.5721	0.247	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.3143	0.382	4	124.5721	0.247	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.2210	0.000	1	124.2210	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Br<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7185	0.211	2	124.7185	0.045	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCCH)	125.1650	0.000	1	125.0558	0.241	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	125.0401	0.528	7	125.0558	0.241	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.8645	0.807	2	124.8017	0.337	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.6760	0.000	1	124.8017	0.337	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	124.6860	0.000	1	124.6860	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.2480	0.000	1	124.8699	0.295	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	124.8359	0.459	9	124.8699	0.295	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.4210	0.000	1	124.8699	0.295	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8254	0.614	14	124.8699	0.295	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	123.9330	0.000	1	124.1245	0.073	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.3160	0.000	1	124.1245	0.073	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.9670	0.000	1	125.9670	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.0010	0.000	1	125.0010	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5812	0.188	4	123.9211	0.204	15	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	124.0210	0.312	7	123.9211	0.204	15	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4880	0.895	2	123.9211	0.204	15	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	123.6845	0.275	2	123.9211	0.204	15	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.1110	0.000	1	124.1110	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0925	0.626	26	123.9009	0.395	44	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	122.6085	0.411	2	123.9009	0.395	44	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	123.7512	0.398	16	123.9009	0.395	44	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	121.4280	3.318	2	122.8145	6.234	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.1440	0.000	1	122.8145	6.234	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.2580	0.000	1	122.8145	6.234	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.7740	0.204	2	123.5987	0.069	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.3500	0.000	1	123.5987	0.069	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.4065	0.169	2	123.5987	0.069	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8810	0.000	1	123.5987	0.069	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	123.3610	0.000	1	123.3610	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCCH)	121.8993	3.416	3	121.8993	11.670	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.7672	0.607	17	123.6815	0.677	318	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	123.6490	0.000	1	123.6815	0.677	318	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	123.6864	0.455	13	123.6815	0.677	318	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	123.6169	0.774	248	123.6815	0.677	318	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.7920	0.000	1	123.6815	0.677	318	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.0820	0.899	5	123.6815	0.677	318	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.4280	0.191	2	123.6815	0.677	318	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	125.7840	0.000	1	123.6815	0.677	318	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	122.3630	1.075	2	123.6815	0.677	318	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.6616	0.899	28	123.6815	0.677	318	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHO)	116.1695	1.133	2	116.1695	1.285	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	123.7485	0.023	2	123.7485	0.001	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	122.3280	2.848	2	123.4643	0.824	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.4353	0.613	26	123.4643	0.824	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.0400	0.139	3	123.4643	0.824	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.6625	0.019	2	123.4643	0.824	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.3670	0.000	1	123.4643	0.824	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HO)	112.3660	0.000	1	112.3660	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.3846	0.338	8	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.7253	0.267	3	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	124.2300	0.000	1	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.2940	0.000	1	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.3444	1.315	426	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	124.1530	0.000	1	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2900	0.000	1	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1230	0.000	1	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1450	0.494	3	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.7520	0.000	1	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9525	0.247	2	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6370	0.000	1	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.3350	0.000	1	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.5020	0.336	5	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2825	1.463	22	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2140	0.000	1	123.3663	1.667	478	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CHHO)	123.2380	0.000	1	123.2380	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CSiHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CSiHH)	124.9557	0.430	4	124.9557	0.185	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	116.3470	0.000	1	121.5550	20.384	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|Ir<6>,1|C<2>,1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	124.1590	0.287	2	121.5550	20.384	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|I<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	122.6650	0.000	1	122.6650	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	124.2370	0.000	1	124.2370	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC3)	114.7780	0.000	1	114.7780	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0990	0.000	1	123.0990	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC3)	119.5190	0.000	1	119.5190	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	122.4807	3.330	11	122.6567	10.038	16	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CCCH)	117.6440	0.000	1	122.6567	10.038	16	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	124.4747	1.014	3	122.6567	10.038	16	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CCCH)	124.1510	0.000	1	122.6567	10.038	16	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCCO)	117.2100	0.000	1	117.2100	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	125.4885	0.453	4	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	123.1410	0.262	3	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	121.3685	2.565	4	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	123.8492	0.764	4	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.9371	2.999	8	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<2>,1|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.4970	0.485	2	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHH)	125.1580	0.566	2	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.3754	0.728	5	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHH)	120.4000	0.000	1	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	125.3163	0.181	3	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.6277	0.465	8	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	O(C[6a]C[6a]2)(CCHH)	118.7195	0.215	4	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	123.7272	1.272	173	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(CCHH)	124.5760	0.000	1	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.3438	2.458	4	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	124.2076	0.452	8	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.7778	1.400	21	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHH)	123.3525	2.251	11	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.2197	0.635	3	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.4215	1.162	2	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.0488	1.577	226	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.8941	0.483	7	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.9670	1.591	2	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.9590	0.000	1	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.2860	0.000	1	123.4110	2.583	508	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHO)	117.8100	0.222	3	116.8380	3.812	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHO)	113.9220	0.000	1	116.8380	3.812	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[3]HH)	119.6260	0.000	1	119.6260	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3x6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[3x6]HH)	124.5280	0.000	1	124.5280	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[4]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[4]HH)	114.9460	0.000	1	114.4087	0.258	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[4]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[4]HH)	114.2297	0.441	3	114.4087	0.258	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[5]CC)	118.7420	0.000	1	118.7420	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5]HH)	123.6749	0.658	8	122.8777	3.783	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[5]HH)	118.6010	0.000	1	122.8777	3.783	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	122.1773	2.620	3	122.8777	3.783	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[5a]HH)	117.2620	0.000	1	123.5417	2.987	16	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	123.9720	0.008	2	123.5417	2.987	16	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	124.2351	0.277	8	123.5417	2.987	16	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	123.5660	0.021	2	123.5417	2.987	16	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	123.1695	0.135	2	123.5417	2.987	16	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	124.1100	0.000	1	123.5417	2.987	16	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6,6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6,6]HH)	118.1940	0.000	1	118.1940	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	122.0740	1.424	2	122.0740	2.028	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]3)	122.5130	0.000	1	122.5130	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	126.0670	0.000	1	121.3627	16.779	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]CH)	119.0105	0.602	2	121.3627	16.779	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]CO)	116.3510	0.351	2	116.3510	0.123	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.7500	0.695	3	123.6064	2.075	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.9688	0.943	34	123.6064	2.075	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.2720	2.086	3	123.6064	2.075	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	121.9973	1.230	3	123.6064	2.075	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.9677	1.072	8	123.6064	2.075	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.0980	0.506	4	123.6064	2.075	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.1100	0.000	1	123.6064	2.075	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.2907	1.841	42	123.6064	2.075	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.8510	0.405	4	123.6064	2.075	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCoHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCoHH)	120.8102	1.289	4	120.8102	1.661	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	125.2300	0.000	1	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.3480	0.000	1	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	125.8950	0.000	1	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.8670	0.116	2	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8140	0.703	2	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.0510	1.165	5	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.7957	0.335	19	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.4555	0.483	2	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0575	0.450	2	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.7610	0.000	1	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8790	0.441	4	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.0551	2.003	7	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.8030	0.000	1	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0875	0.882	2	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8580	0.000	1	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2955	1.083	104	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.0280	0.000	1	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	123.9425	0.091	2	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3787	0.534	14	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8950	0.203	3	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.5680	0.000	1	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9840	0.418	3	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.9539	0.914	90	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.1283	0.723	4	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.3082	0.753	27	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<2>}	O(C[6a]C[6a]2)(CH3)	124.9135	0.472	4	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	123.9043	1.030	8	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.6974	1.299	17	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9930	0.604	2	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5323	0.854	253	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5850	0.000	1	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9836	0.829	5	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.7035	0.818	32	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5914	0.340	5	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.6550	0.000	1	123.8401	0.951	628	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	124.4630	0.000	1	120.2937	15.885	24	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CHHO)	120.2995	0.339	2	120.2937	15.885	24	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CHHO)	121.9471	2.298	13	120.2937	15.885	24	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	115.9206	3.889	7	120.2937	15.885	24	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CHHO)	125.2300	0.000	1	120.2937	15.885	24	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[5a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CN[5a]CH)	122.5740	0.000	1	122.5740	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H){1|C<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	127.8870	0.000	1	127.8870	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	122.1962	1.532	4	122.1962	2.348	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.2290	0.000	1	123.1799	0.188	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.4300	0.028	2	123.1799	0.188	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.3118	0.335	11	123.1799	0.188	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	111.4250	0.000	1	111.4250	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	121.2850	4.267	9	121.2850	18.204	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.4805	0.457	4	122.7711	0.498	23	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.3869	0.784	7	122.7711	0.498	23	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.8483	0.504	11	122.7711	0.498	23	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.7750	0.000	1	122.7711	0.498	23	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	122.9800	0.000	1	122.9800	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|C<2>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0980	0.421	2	125.0980	0.178	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.2640	0.000	1	124.2640	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5320	0.375	2	123.5320	0.140	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHH)	123.8750	0.148	3	124.3690	0.991	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){2|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.8510	0.000	1	124.3690	0.991	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H){2|C<3>}	O(C[6a]C[6a]2)(CCHH)	121.7360	0.000	1	121.7360	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	122.4550	0.000	1	122.4550	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	125.2140	0.000	1	125.2140	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.7920	0.000	1	121.7717	3.494	65	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	121.8369	1.714	50	121.7717	3.494	65	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.5571	0.921	7	121.7717	3.494	65	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){3|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.1693	0.784	6	121.7717	3.494	65	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.6080	0.000	1	121.7717	3.494	65	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	122.3841	1.159	18	122.4095	1.212	20	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	122.6385	0.262	2	122.4095	1.212	20	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]HO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[6a]HO)	112.5270	0.182	2	112.5270	0.033	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.7265	0.067	2	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.2810	1.139	5	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	122.5400	0.000	1	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0234	1.283	5	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	122.6282	0.494	8	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9100	0.000	1	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.2880	0.000	1	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.6515	0.589	21	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.0627	0.524	12	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	122.9510	0.569	74	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1780	0.000	1	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1171	0.777	45	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.4780	0.000	1	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.6463	1.143	36	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.8990	0.341	2	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.9260	0.000	1	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,1|O<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.7925	0.117	2	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.7893	0.842	89	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	122.8031	0.485	14	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.4928	0.819	9	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.8420	0.823	78	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.0380	0.000	1	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.7854	0.931	7	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Ni<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.1950	0.508	2	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.9920	0.112	3	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.1930	0.477	4	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3009	0.816	13	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.6810	1.583	4	122.8981	0.699	442	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	122.1000	0.472	2	122.1000	0.223	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.1080	0.776	4	123.1080	0.601	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5990	0.250	2	124.3650	0.582	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.2750	0.000	1	124.3650	0.582	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9870	0.000	1	124.3650	0.582	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CHHO)	124.4650	0.000	1	124.4650	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	123.8666	0.723	12	123.8456	0.457	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	123.7195	0.387	2	123.8456	0.457	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.9770	0.276	2	124.6220	0.416	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.9120	0.000	1	124.6220	0.416	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	124.4065	0.179	2	124.4065	0.032	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.3930	0.000	1	122.9603	1.540	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	122.2440	0.038	2	122.9603	1.540	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.1630	0.000	1	123.1630	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	123.2690	0.000	1	123.2690	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	123.1205	2.765	4	123.1205	7.644	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHH)	124.3840	0.000	1	122.9552	7.493	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	122.6774	1.524	5	122.9552	7.493	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.0790	1.274	3	122.9552	7.493	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.0520	0.000	1	122.9552	7.493	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.2248	0.363	5	122.9552	7.493	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.9490	0.000	1	122.9552	7.493	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	122.6153	2.358	4	122.9552	7.493	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.9915	0.999	2	122.9552	7.493	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.7150	0.000	1	122.9552	7.493	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.8380	0.000	1	122.9552	7.493	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.7510	0.000	1	122.9552	7.493	25	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	121.3130	0.000	1	121.3130	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.8590	0.000	1	123.9952	0.769	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.7000	0.000	1	123.9952	0.769	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	122.8080	0.000	1	123.9952	0.769	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.6140	0.000	1	123.9952	0.769	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CF3)	118.5220	0.000	1	118.5220	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|As<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.6900	0.000	2	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1727	0.208	3	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1480	0.211	2	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8200	0.000	1	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.0990	0.356	2	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.8472	0.108	5	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.3803	1.672	3	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.7510	0.182	2	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9780	0.000	1	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8470	0.227	3	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.8340	0.000	2	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.4750	0.000	1	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.7445	0.066	2	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.6341	0.547	11	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.9385	0.357	2	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2135	1.184	2	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8480	0.826	2	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.7140	0.000	1	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|Fe<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.2518	1.046	4	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0450	0.000	1	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9015	0.180	2	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9057	0.766	18	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1765	1.736	2	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.8790	0.000	1	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.5060	0.000	1	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.7134	0.389	9	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5870	0.052	2	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0460	0.000	1	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.8650	0.000	1	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0970	0.000	1	123.9825	0.685	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CHHO)	123.9880	0.000	1	123.9880	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.5080	0.013	2	122.5080	0.000	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|S<4>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.3400	0.055	2	122.6271	0.947	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.1190	0.000	1	122.6271	0.947	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.3440	0.000	1	122.6271	0.947	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	121.2970	0.230	4	122.6271	0.947	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.8305	0.680	4	122.6271	0.947	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2445	0.688	4	122.6271	0.947	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3590	0.182	2	122.6271	0.947	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.8396	0.369	12	122.6271	0.947	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.7720	0.348	4	122.6271	0.947	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	121.3765	0.981	2	122.6271	0.947	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.8175	0.364	2	122.6271	0.947	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.6800	0.000	1	122.6271	0.947	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9397	0.505	6	122.6271	0.947	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7975	0.484	2	124.7975	0.235	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.1340	0.000	1	122.1340	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	123.7168	1.118	18	123.5417	3.484	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.3796	0.508	5	123.5417	3.484	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	123.9040	0.000	1	123.5417	3.484	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.6590	0.000	1	123.5417	3.484	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	121.7150	0.000	1	123.5417	3.484	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.4460	0.000	1	123.5417	3.484	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.5920	0.028	2	123.5417	3.484	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.9610	0.000	1	124.6757	0.386	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.0330	0.072	2	124.6757	0.386	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CFFH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CFFH)	120.3820	0.247	2	120.3820	0.061	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.1650	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.7720	0.478	2	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.7724	0.608	14	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.0875	0.255	2	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.3446	0.345	5	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.6320	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.5350	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.6860	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.7179	2.159	7	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	121.4350	2.288	2	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	126.1210	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0505	0.233	2	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.7828	0.508	9	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.7220	0.252	2	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	123.5075	0.330	2	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.8300	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3062	0.685	10	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	121.0845	1.254	2	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.1780	0.481	2	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5072	0.515	12	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.3000	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9488	0.922	4	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2010	0.525	3	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.2925	0.350	4	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0300	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.0395	1.590	2	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.1220	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.1873	0.449	7	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Pd<4>,1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.4754	0.216	5	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Pd<5>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.2770	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	121.7900	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	123.5530	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.4140	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	123.4370	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.5088	0.592	8	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	123.9440	0.000	1	123.6088	1.175	121	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.9820	0.148	2	123.9820	0.022	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.9720	0.170	2	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	122.9640	0.783	2	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.1893	0.298	4	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.8330	0.620	5	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.0150	0.000	1	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	122.3060	0.000	1	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.4292	0.378	4	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.8680	0.000	1	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.5100	1.147	2	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.4755	0.029	2	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.5850	0.000	1	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.9235	0.247	2	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.9840	0.000	1	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.2410	0.000	1	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Se<2>,1|C<3>,1|O<2>,1|P<4>,2|H<1>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.5130	0.000	1	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.9570	0.326	4	122.4903	0.374	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.5790	0.000	1	125.5790	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<2>,1|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.4825	0.397	2	124.7182	0.232	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.8753	0.540	3	124.7182	0.232	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	122.5240	3.920	2	123.2823	9.409	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.7990	0.000	1	123.2823	9.409	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CCCH)	124.7200	0.000	1	124.7200	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.5103	0.795	7	124.5103	0.632	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Br<1>,1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.6195	0.298	2	124.6195	0.089	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3x6]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[3x6]HH)	124.5780	0.000	1	124.5780	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCCH)	126.8460	0.000	1	125.5852	0.512	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	124.7870	0.000	1	125.5852	0.512	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CCCH)	125.4695	0.305	4	125.5852	0.512	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHH)	125.9410	0.000	1	125.1044	0.258	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.5927	0.360	4	125.1044	0.258	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	125.0800	0.000	1	125.1044	0.258	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.9945	0.267	2	125.1044	0.258	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.2112	0.468	33	125.1044	0.258	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.5453	0.566	3	125.1044	0.258	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.7140	0.000	1	125.1044	0.258	45	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	125.0950	0.445	2	125.0950	0.198	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.3520	0.590	2	125.3700	0.175	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.4060	0.000	1	125.3700	0.175	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	125.6900	0.000	1	125.1479	0.094	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.2830	0.000	1	125.1479	0.094	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9962	0.221	6	125.1479	0.094	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	125.3810	0.000	1	125.1479	0.094	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8043	0.438	7	124.1615	0.578	15	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.5991	0.466	8	124.1615	0.578	15	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|Cl<1>,1|F<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.5110	0.371	2	124.5110	0.137	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){2|Cl<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.5510	0.000	1	125.5510	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){2|Cl<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	125.5940	0.000	1	125.5940	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){2|Cl<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.6540	0.000	1	125.6540	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Cl<1>,1|C<3>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	124.0820	0.000	1	124.3160	0.071	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4330	0.245	2	124.3160	0.071	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.6425	0.138	2	125.6425	0.019	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	125.1455	0.262	2	125.1455	0.069	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.9960	0.000	1	124.9960	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	126.2370	0.397	2	126.2370	0.158	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|B<3>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(CH3)	126.2940	0.000	1	126.2139	0.283	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	O(C[6a]C[6a]2)(CH3)	126.7340	0.000	1	126.2139	0.283	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	126.6257	0.471	3	126.2139	0.283	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.7550	0.255	4	126.2139	0.283	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|Ir<6>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.9225	0.439	2	125.9225	0.193	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	126.0620	0.000	1	126.0620	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ge<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC3)	123.6317	2.679	6	123.6317	7.176	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ge<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.1326	0.513	9	124.1326	0.263	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ge<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.8600	0.259	2	123.8600	0.067	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|I<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1450	0.506	2	124.1450	0.256	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CCCH)	125.0705	0.880	4	125.0705	0.775	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	123.9120	0.000	1	123.9120	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CCCH)	125.5915	1.008	4	125.8818	1.490	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<2>}	O(C[6a]C[6a]2)(CCCH)	125.1600	0.000	1	125.8818	1.490	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<3>}	O(C[6a]C[6a]2)(CCCH)	127.7650	0.000	1	125.8818	1.490	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CCHH)	123.9270	0.000	1	125.2917	2.653	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<2>}	O(C[6a]C[6a]2)(CCHH)	127.0950	0.000	1	125.2917	2.653	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.8530	0.000	1	125.2917	2.653	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	124.0430	0.000	1	124.7168	0.911	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	123.9820	0.000	1	124.7168	0.911	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|I<1>}	O(C[6a]C[6a]2)(CH3)	124.6880	0.000	1	124.7168	0.911	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	123.9880	0.000	1	124.7168	0.911	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<2>}	O(C[6a]C[6a]2)(CH3)	125.9637	0.491	3	124.7168	0.911	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|I<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.1920	0.594	3	124.7168	0.911	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,1|I<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	123.9790	0.684	2	123.9790	0.469	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,1|I<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.1320	2.572	4	120.1320	6.613	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|I<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1650	0.000	1	124.1650	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	124.7853	0.264	3	124.7853	0.070	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|B<3>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	123.6960	0.000	1	123.4847	0.281	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	123.8760	0.000	1	123.4847	0.281	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.8820	0.000	1	123.4847	0.281	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|N<3>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	114.9920	0.000	1	123.3280	16.794	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.3605	0.100	2	123.3280	16.794	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|Cl<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.7060	0.339	2	123.3280	16.794	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.8430	0.000	1	123.3280	16.794	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6014	0.214	5	124.6506	1.127	17	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3035	1.111	2	124.6506	1.127	17	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.7455	0.323	6	124.6506	1.127	17	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2435	0.492	4	124.6506	1.127	17	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(CCHH)	119.1980	0.437	2	119.1980	0.191	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CF3)	119.6120	0.000	1	119.6120	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	122.8820	0.498	6	122.8820	0.248	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC3)	119.9870	0.000	1	119.9870	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCCH)	125.8097	0.367	3	125.8097	0.135	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	122.8933	0.670	3	124.4558	1.729	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	123.9940	0.000	1	124.4558	1.729	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCHH)	125.5770	0.000	1	124.4558	1.729	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	125.4627	0.167	4	124.4558	1.729	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.5540	1.233	2	124.5540	1.521	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.7353	0.922	6	124.6894	0.722	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(CH3)	124.4140	0.000	1	124.6894	0.722	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.4040	0.646	2	125.4040	0.418	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.7000	0.444	3	123.7000	0.197	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CCCH)	125.7690	0.000	1	125.5450	0.100	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCCH)	125.3210	0.000	1	125.5450	0.100	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	124.1560	0.000	1	124.2879	2.283	177	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	124.6577	0.663	28	124.2879	2.283	177	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(CCHH)	122.4996	3.773	8	124.2879	2.283	177	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	124.9550	0.000	1	124.2879	2.283	177	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCHH)	123.4396	2.025	30	124.2879	2.283	177	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	124.5372	1.038	92	124.2879	2.283	177	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(CCHH)	125.0260	0.891	3	124.2879	2.283	177	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.4995	0.805	2	124.2879	2.283	177	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CCHH)	123.8972	0.523	6	124.2879	2.283	177	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.2258	0.951	6	124.2879	2.283	177	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CC[5]HH)	125.0287	0.403	3	125.0287	0.162	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CC[6]HH)	120.8310	0.000	1	118.1995	13.850	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CC[6]HH)	115.5680	0.000	1	118.1995	13.850	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]CH)	123.8640	0.000	1	123.8640	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.5770	0.454	5	125.3948	0.364	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.4840	0.000	1	125.3948	0.364	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CF3)	120.7673	1.224	4	120.7673	1.497	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.3745	0.639	2	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.4500	0.910	6	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.6110	0.000	1	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<4>}	O(C[6a]C[6a]2)(CH3)	124.3890	0.000	1	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	124.6734	0.520	33	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.9266	0.880	216	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(CH3)	126.0563	0.702	8	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1580	0.000	1	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|N<4>}	O(C[6a]C[6a]2)(CH3)	125.4730	0.636	2	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1931	0.735	13	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	125.1860	0.000	1	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<4>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	125.8820	0.000	1	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	124.0676	0.878	10	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	124.5940	0.000	1	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.5520	0.000	1	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<4>}	O(C[6a]C[6a]2)(CH3)	126.6000	0.000	1	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7557	0.518	8	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.2318	1.700	5	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.8899	0.761	18	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.3915	0.054	2	124.9166	0.763	331	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CHHO)	125.1620	0.252	2	124.8433	0.336	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	124.2060	0.000	1	124.8433	0.336	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Ir<7>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0520	0.000	1	123.0520	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	126.6030	0.000	1	125.2940	1.323	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.8330	0.000	1	125.2940	1.323	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CCHH)	124.4460	0.000	1	125.2940	1.323	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	126.1450	0.000	1	124.4221	0.618	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	123.9603	0.698	3	124.4221	0.618	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.2368	0.658	5	124.4221	0.618	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.4905	0.306	2	124.4221	0.618	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.8740	0.000	1	124.4221	0.618	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	123.9790	0.000	1	123.9790	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	121.6160	0.000	1	121.6160	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.2560	0.000	1	125.6835	0.366	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|N<4>}	O(C[6a]C[6a]2)(CH3)	126.1110	0.000	1	125.6835	0.366	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	125.3963	0.397	3	125.3963	0.158	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	125.5790	0.000	1	125.8525	0.150	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	126.1260	0.000	1	125.8525	0.150	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CCHH)	124.1487	0.681	20	124.1487	0.463	20	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	124.7965	0.753	4	124.3811	0.431	15	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.3257	0.331	3	124.3811	0.431	15	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	122.9570	0.000	1	124.3811	0.431	15	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	124.3865	0.524	6	124.3811	0.431	15	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2770	0.000	1	124.3811	0.431	15	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.5891	1.322	49	124.5891	1.747	49	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	123.5250	0.000	1	124.1110	0.687	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.6970	0.000	1	124.1110	0.687	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1194	0.365	7	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8883	0.142	3	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|S<2>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.5740	0.000	1	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9510	0.486	3	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|Cl<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.3505	0.203	2	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7490	0.877	2	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.6520	1.077	3	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9830	0.448	2	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1005	0.209	2	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0110	0.097	3	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,1|P<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0260	0.000	1	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6530	0.356	2	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0570	0.000	1	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6815	0.223	2	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	125.5911	0.492	7	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|Br<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4140	0.000	1	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.1947	0.550	20	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	124.2555	0.412	4	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.3910	0.231	2	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1286	1.548	10	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1630	1.457	32	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8180	0.266	2	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5002	0.257	6	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.1520	0.346	4	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.5560	0.000	1	124.5576	1.084	123	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5393	0.683	3	124.3546	0.333	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.0775	0.380	2	124.3546	0.333	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.8300	0.000	1	124.8300	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|Br<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2100	1.372	2	124.7796	1.094	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.3902	0.401	35	124.7796	1.094	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7021	0.421	7	124.7796	1.094	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9369	0.435	17	124.7796	1.094	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8039	0.395	8	124.7796	1.094	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.2893	0.247	3	124.7796	1.094	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7218	1.690	39	124.7796	1.094	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4927	2.027	9	124.7796	1.094	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	124.6960	0.350	4	124.7796	1.094	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1730	0.000	1	124.7796	1.094	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6912	0.292	6	124.7796	1.094	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4648	0.559	40	124.7796	1.094	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.2815	0.714	8	124.7796	1.094	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6795	0.139	2	124.7796	1.094	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H){1|C<3>,1|I<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3360	0.000	1	125.3360	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3980	0.000	1	125.3980	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.7271	0.685	15	124.7708	0.468	16	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	125.4260	0.000	1	124.7708	0.468	16	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9480	0.721	2	125.1070	0.455	48	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0945	0.464	8	125.1070	0.455	48	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.5518	0.780	6	125.1070	0.455	48	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0985	0.571	11	125.1070	0.455	48	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.2820	0.160	2	125.1070	0.455	48	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0803	0.760	19	125.1070	0.455	48	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC3)	129.7210	0.000	1	129.7210	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.3894	1.352	12	124.3990	5.345	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	126.1920	1.779	4	124.3990	5.345	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.9480	0.495	2	124.3990	5.345	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	122.5428	3.277	22	124.3990	5.345	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.4342	1.936	26	124.3990	5.345	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CCHH)	118.1380	0.000	1	124.3990	5.345	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.0540	2.528	4	124.3990	5.345	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	125.7960	0.000	1	124.3990	5.345	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	125.0249	1.837	52	124.3990	5.345	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	125.4560	0.000	1	124.3990	5.345	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CCHH)	125.7970	0.000	1	124.3990	5.345	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.6255	0.343	2	124.3990	5.345	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.5383	0.870	4	124.3990	5.345	132	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[3]HH)	125.5810	0.788	3	125.5810	0.621	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[5a]CC)	121.1340	0.000	1	121.1340	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[5a]HH)	124.9302	2.015	11	124.9302	4.060	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6]HH)	124.1710	1.252	9	124.1710	1.568	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.5846	1.719	21	124.9377	2.195	32	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.2070	0.000	1	124.9377	2.195	32	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	126.1280	0.249	2	124.9377	2.195	32	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.5334	0.267	8	124.9377	2.195	32	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	126.9640	0.000	1	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9240	0.000	1	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.7590	0.000	1	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3792	0.628	4	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9479	0.416	22	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9265	0.145	2	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.9700	0.133	2	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2685	1.177	2	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.1897	1.348	30	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0907	0.550	6	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0006	1.107	171	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1129	0.556	162	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3596	0.517	12	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	126.3090	1.247	3	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<3>}	O(C[6a]C[6a]2)(CH3)	124.5180	0.000	1	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	125.4530	0.000	1	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0307	0.435	10	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0326	0.393	63	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1262	0.318	4	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Pt<5>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0154	0.405	10	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0847	0.190	3	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.4817	0.455	10	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.4634	0.886	193	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4668	1.732	30	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.2052	0.173	6	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(CH3)	123.5058	0.755	6	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.2747	0.611	12	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.7220	0.000	1	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.2823	0.613	9	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3125	0.095	2	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.2236	0.355	28	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3219	0.558	460	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3412	0.779	15	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3310	1.155	41	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.4019	0.385	11	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.8290	0.000	1	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	126.5620	0.134	2	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1510	0.816	4	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.5320	0.211	2	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8110	0.314	4	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.5886	0.567	426	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.7420	0.000	1	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Ir<8>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1970	0.000	1	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6293	0.546	9	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.2690	0.000	1	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3758	0.370	5	124.9346	0.669	1791	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CHHO)	124.6980	0.000	1	124.6980	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.2080	0.000	1	124.5235	0.119	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.6500	0.049	2	124.5235	0.119	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.2200	0.478	2	124.5235	0.119	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5155	0.276	4	124.5235	0.119	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.3745	0.069	2	124.5235	0.119	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3055	1.240	2	124.9640	0.487	23	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.1006	0.689	14	124.9640	0.487	23	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.5640	0.000	1	124.9640	0.487	23	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.2970	0.242	4	124.9640	0.487	23	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.7005	0.221	2	124.9640	0.487	23	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	126.1200	0.000	1	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7600	0.000	1	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.1182	0.647	9	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1026	0.431	31	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.3840	0.000	1	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.8215	0.260	2	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.7200	0.000	1	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.9330	0.396	5	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6580	0.000	1	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.4980	0.000	1	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.6930	0.000	1	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8720	2.176	4	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|Fe<10>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.9230	0.000	1	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|Fe<10>,1|C<3>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	125.3238	0.292	5	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8330	0.000	1	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	125.0087	0.465	4	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){3|C<3>,3|O<2>}	O(C[6a]C[6a]2)(CH3)	125.4820	0.000	1	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.7780	0.204	3	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.3300	0.437	2	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8752	0.469	8	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.6872	0.836	15	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.2985	0.224	2	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.7440	0.654	12	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3800	0.000	1	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9478	0.420	9	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.6101	0.479	10	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.7410	0.143	2	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.3100	0.079	2	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1590	0.594	2	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	126.2400	0.000	1	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.7080	0.380	5	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.0623	0.535	4	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.3148	0.494	6	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	124.4323	0.482	6	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0524	2.250	13	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6614	0.377	5	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.6957	0.187	3	124.8432	0.720	181	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	126.1020	0.000	1	125.9145	0.070	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.7270	0.000	1	125.9145	0.070	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.6810	0.052	2	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.4660	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5750	0.420	8	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.3230	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3394	0.246	7	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.9475	0.665	2	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9106	0.286	5	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.1335	0.276	6	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	125.7985	0.097	2	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8120	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9610	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.8000	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.3130	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8127	0.728	4	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9110	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Fe<7>,1|C<3>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	125.1150	0.025	2	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.7890	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|I<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.9530	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.8993	0.434	3	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	125.0130	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.3690	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4742	1.540	14	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1650	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){3|C<3>,3|O<2>}	O(C[6a]C[6a]2)(CH3)	124.3180	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	123.8888	0.407	4	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5542	0.301	4	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.3665	0.572	31	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3980	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.6423	0.386	8	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5279	1.353	14	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0060	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	125.4355	1.483	2	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9330	0.000	1	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9470	0.354	2	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0854	0.454	8	124.5670	1.213	144	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.2320	0.515	2	125.1508	0.078	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0967	0.112	3	125.1508	0.078	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CC3)	121.9950	0.000	1	121.9950	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCCH)	123.1330	3.196	2	123.2589	7.965	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCCH)	122.5332	3.085	6	123.2589	7.965	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CCCH)	125.7590	0.000	1	123.2589	7.965	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	125.3650	0.000	1	123.2589	7.965	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	121.1098	3.880	12	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(CCHH)	125.8360	0.000	1	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.2447	2.410	7	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.7125	0.660	2	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	125.7442	1.070	4	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.8380	2.005	28	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.5285	1.430	451	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(CCHH)	121.2710	0.000	1	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	122.8590	2.217	2	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	125.2420	0.577	6	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<4>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	123.1640	0.000	1	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	126.0500	0.000	1	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	125.7010	0.000	1	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.9838	1.227	55	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.6350	1.863	191	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(CCHH)	125.6395	0.822	2	124.5531	2.844	765	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[3]HH)	125.2017	0.320	3	125.2017	0.102	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[5]HH)	124.8858	0.767	5	124.8858	0.588	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[5a]HH)	125.3230	0.000	1	123.3243	7.170	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[5a]HH)	120.2820	0.000	1	123.3243	7.170	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	124.3680	0.000	1	123.3243	7.170	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6]HH)	125.0510	0.000	1	125.0510	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]2H)	125.1640	0.000	1	125.1640	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.2520	0.000	1	125.0692	1.783	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.8098	0.175	4	125.0692	1.783	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.2701	1.268	10	125.0692	1.783	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.2155	0.565	24	125.0692	1.783	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.8311	2.722	7	125.0692	1.783	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HO)	119.8563	2.659	4	119.8563	7.071	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CF3)	119.6545	0.070	2	119.6545	0.005	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CFFH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CFFH)	118.6630	0.811	4	118.6630	0.658	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0310	1.520	2	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1285	0.289	4	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0482	1.028	48	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(CH3)	120.9236	3.223	9	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8045	0.605	6	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.7120	0.000	1	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1270	0.000	1	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.2030	0.887	10	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1180	1.114	22	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(CH3)	125.5850	0.215	2	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8191	0.539	35	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.4060	0.000	1	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|B<3>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1030	0.000	1	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.5540	0.000	1	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.2207	0.589	209	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3762	0.558	77	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.4770	0.607	4	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3378	0.317	6	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	124.6710	0.000	1	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	125.3740	0.164	2	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3217	0.739	3	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.2876	0.451	321	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.4190	0.080	3	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1071	0.511	8	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|B<3>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8010	0.000	1	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8681	1.908	10	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3070	0.341	5	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9266	1.320	571	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(CH3)	124.6820	1.083	5	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0950	0.226	3	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pt<4>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.7860	0.000	1	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Ir<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.3230	0.000	1	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Ir<5>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3285	0.152	2	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	126.0853	0.720	4	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.7435	0.920	2	125.0743	1.148	1382	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	124.9793	0.209	3	124.9793	0.044	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[5]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CN[5]HH)	121.1140	4.198	5	121.1140	17.620	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,1|I<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.7200	0.338	2	125.0100	0.309	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.5900	0.000	1	125.0100	0.309	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCCH)	125.9935	0.134	2	125.9935	0.018	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.9735	0.595	2	124.4831	2.095	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	125.2710	0.093	2	124.4831	2.095	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.6772	0.331	6	124.4831	2.095	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	123.9238	1.724	18	124.4831	2.095	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	125.7868	0.630	5	124.4831	2.095	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.3130	0.000	1	124.4831	2.095	34	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	126.0610	0.000	1	126.0610	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9015	0.302	4	124.7194	0.721	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.1825	0.241	2	124.7194	0.721	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.5781	0.204	8	124.7194	0.721	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8904	0.863	5	124.7194	0.721	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	125.3530	0.000	1	124.7194	0.721	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.4160	0.000	1	124.7194	0.721	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1814	0.316	12	124.7194	0.721	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.2340	0.507	8	124.7194	0.721	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.0894	0.595	37	124.7194	0.721	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.8922	0.631	10	124.7194	0.721	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.3250	0.321	2	124.7194	0.721	90	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.6939	0.384	14	123.6939	0.147	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9060	0.000	1	124.4290	0.093	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0555	0.162	2	124.4290	0.093	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4965	0.050	4	124.4290	0.093	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1833	0.196	4	124.0535	0.075	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9670	0.298	6	124.0535	0.075	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.1360	0.000	1	125.0860	0.133	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.4030	0.000	1	125.0860	0.133	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,1|O<2>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	124.9025	0.477	2	125.0860	0.133	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	125.1880	0.000	1	124.1566	2.328	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	123.9847	1.595	6	124.1566	2.328	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9520	0.000	1	125.0231	0.721	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9500	0.000	1	125.0231	0.721	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	125.0837	0.286	7	125.0231	0.721	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.6780	0.000	1	125.0231	0.721	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|O<2>,1|S<3>}	O(C[6a]C[6a]2)(CH3)	125.0039	1.258	12	125.0231	0.721	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.9040	0.000	1	125.0231	0.721	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8865	0.342	2	125.0231	0.721	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|O<2>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.4675	0.460	2	125.0231	0.721	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.4220	0.256	2	125.0231	0.721	29	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	126.4085	0.095	2	126.4085	0.009	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CCHH)	122.6086	2.875	9	122.6086	8.266	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.8070	0.000	1	124.4864	1.011	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.5998	0.520	4	124.4864	1.011	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.2332	1.424	23	124.4864	1.011	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8142	0.446	5	124.4864	1.011	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.5890	0.000	1	124.4864	1.011	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	121.4670	3.779	2	124.4864	1.011	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6250	0.476	52	124.4864	1.011	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Pd<4>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.7320	0.000	1	124.4864	1.011	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.2955	0.518	8	124.4864	1.011	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3530	0.585	3	124.4864	1.011	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8965	0.214	2	124.4864	1.011	102	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9668	0.138	4	124.9615	0.301	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	125.8010	0.000	1	124.9615	0.301	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1010	0.000	1	124.9615	0.301	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pt<5>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.4966	2.061	8	124.4966	4.246	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pt<5>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.5555	0.613	2	124.5555	0.376	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	125.0845	0.330	2	125.0845	0.109	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	124.9930	0.877	2	124.9930	0.769	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<3>}	O(C[6a]C[6a]2)(CCCH)	122.1370	0.000	1	124.1813	3.210	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CCCH)	125.2035	0.390	2	124.1813	3.210	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CCHH)	123.9630	0.715	8	123.9630	0.512	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.3060	0.000	1	124.3060	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	122.5780	0.116	2	124.0063	1.223	283	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	122.6816	0.474	5	124.0063	1.223	283	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	124.0489	1.906	37	124.0063	1.223	283	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	124.7620	1.393	3	124.0063	1.223	283	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	123.9661	0.326	7	124.0063	1.223	283	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<3>}	O(C[6a]C[6a]2)(CH3)	124.0719	0.309	12	124.0063	1.223	283	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	124.0532	0.917	213	124.0063	1.223	283	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|P<4>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	125.2380	0.000	1	124.0063	1.223	283	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|P<3>}	O(C[6a]C[6a]2)(CH3)	121.6540	0.000	1	124.0063	1.223	283	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<3>}	O(C[6a]C[6a]2)(CH3)	121.9560	0.000	1	124.0063	1.223	283	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	122.3150	0.000	1	124.0063	1.223	283	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	123.1865	0.426	2	122.5272	0.891	28	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|P<2>}	O(C[6a]C[6a]2)(CH3)	122.8165	0.759	2	122.5272	0.891	28	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|P<3>}	O(C[6a]C[6a]2)(CH3)	122.9445	0.011	2	122.5272	0.891	28	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	122.4030	1.014	22	122.5272	0.891	28	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>,1|S<4>}	O(C[6a]C[6a]2)(CF3)	120.7250	0.000	1	120.7250	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	122.6490	0.000	1	122.6490	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CCHH)	123.9690	0.680	2	123.9690	0.463	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CC[6]CC)	118.4370	0.000	1	118.4370	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	124.5533	0.321	3	124.5533	0.103	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,1|S<4>}	O(C[6a]C[6a]2)(CF3)	121.8990	0.000	1	121.8990	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CCHH)	123.4325	0.209	2	124.1804	1.810	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	124.4712	1.756	4	124.1804	1.810	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.5130	0.000	1	124.1804	1.810	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.8030	0.000	1	123.5015	10.594	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	121.2000	0.000	1	123.5015	10.594	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CF3)	122.5610	0.636	2	122.5610	0.405	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)(CH3)	123.4490	0.260	2	124.5553	0.428	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	123.5540	0.843	3	124.5553	0.428	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	125.2035	0.432	2	124.5553	0.428	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	124.6143	0.596	14	124.5553	0.428	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)(CH3)	125.1597	0.445	7	124.5553	0.428	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	124.7780	0.147	4	124.5553	0.428	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|S<3>}	O(C[6a]C[6a]2)(CH3)	124.9180	0.000	1	124.5553	0.428	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	124.2660	0.235	2	124.5553	0.428	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5892	0.441	13	124.5553	0.428	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	123.7595	0.564	2	124.5553	0.428	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)(CH3)	123.8930	0.000	1	124.5553	0.428	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|N<2>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2067	0.154	4	124.2067	0.024	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	123.7185	0.122	2	123.7185	0.015	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	124.7810	0.163	2	124.7810	0.026	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|S<4>}	O(C[6a]C[6a]2)(CCHH)	123.9616	0.656	5	123.9616	0.430	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	124.0170	0.000	1	123.9990	0.036	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Cl<1>,1|C<3>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	123.8010	0.000	1	123.9990	0.036	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1790	0.000	1	123.9990	0.036	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.1895	0.950	2	124.1895	0.902	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|N<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	125.4970	0.000	2	125.4970	0.000	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|N<2>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.9885	0.189	2	124.9885	0.036	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|N<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	122.6983	5.069	3	122.6983	25.691	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|N<2>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.7265	7.551	2	119.7265	57.021	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	125.7997	0.722	3	125.7997	0.521	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|I<3>,1|N<2>}	O(C[6a]C[6a]2)(CCCH)	127.5505	0.405	2	127.5505	0.164	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|I<3>,1|N<2>}	O(C[6a]C[6a]2)(CCHH)	127.2070	0.000	1	127.2070	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,1|I<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	126.0323	0.223	3	126.0323	0.050	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]CH)	125.5895	0.286	2	125.5895	0.082	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|N<2>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	126.4380	0.000	1	126.4380	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(CCCH)	126.6210	0.000	1	126.6210	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	125.5505	0.258	4	125.5505	0.066	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	126.9580	0.000	1	126.9580	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	126.5465	0.443	2	126.6636	0.326	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	126.0970	0.000	1	126.6636	0.326	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(CH3)	127.0853	0.283	4	126.6636	0.326	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(CH3)	125.7780	0.000	1	126.6636	0.326	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	125.6960	0.000	1	125.6960	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	124.7250	0.000	1	124.7250	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	115.6320	0.000	1	115.6320	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	119.5545	7.014	2	119.5545	49.193	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.2830	0.000	1	124.2830	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2160	0.000	1	119.6325	39.011	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.0490	0.000	1	119.6325	39.011	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	124.3480	0.000	1	117.1792	18.430	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.0563	5.046	3	117.1792	18.430	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	114.7292	0.358	4	117.1792	18.430	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	120.0120	7.064	2	120.0120	49.900	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CF3)	122.8380	0.000	1	122.8380	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.3990	0.000	1	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.2050	0.882	2	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	119.8155	6.642	2	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.3170	0.000	1	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	115.9770	0.000	1	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	122.5022	3.908	5	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2670	1.580	4	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2780	0.000	1	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.2237	4.747	3	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	122.4782	3.846	5	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	121.1143	5.218	3	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.3320	0.000	1	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1870	0.000	1	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.3089	4.764	7	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	120.8925	7.485	2	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.9233	4.751	6	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.2820	0.000	1	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	118.8717	5.714	3	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.8330	5.269	2	120.0699	21.133	51	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5390	0.000	1	119.5830	32.708	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	123.6270	0.000	1	119.5830	32.708	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<2>}	O(C[6a]C[6a]2)(CCHH)	123.9600	0.000	1	123.4706	0.236	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.3975	0.534	6	123.4706	0.236	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.4580	0.468	4	123.4706	0.236	11	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.7580	6.900	2	119.7580	47.609	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CF3)	118.7940	0.000	1	118.7940	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|I<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5270	0.348	3	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|Cr<5>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.9170	0.000	1	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.3298	3.669	15	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|Au<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5310	0.000	1	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1110	0.000	1	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2670	0.000	1	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2910	0.000	1	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.2425	6.071	2	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	118.1498	3.997	9	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.3950	0.000	1	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.8295	6.297	2	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.1490	4.501	12	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	115.1310	0.225	2	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2095	6.162	2	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0787	5.196	4	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.4014	4.450	56	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	119.9885	6.373	2	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.9790	4.552	6	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|Sn<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1020	7.037	2	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.5578	5.054	6	120.3116	20.150	129	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.8060	0.870	3	124.8060	0.757	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	123.9160	0.000	1	124.4135	0.134	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,2|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	124.5793	0.188	3	124.4135	0.134	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.8100	0.000	1	124.8845	0.011	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9590	0.000	1	124.8845	0.011	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	119.9142	6.324	4	119.9142	39.996	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.7110	0.000	1	125.7110	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2060	0.000	1	119.3460	47.239	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4860	0.000	1	119.3460	47.239	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.3150	0.000	1	119.0495	29.919	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	120.0449	5.726	8	119.0495	29.919	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	114.8210	0.000	1	119.0495	29.919	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.3902	0.588	6	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.9210	5.191	7	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.6595	0.749	2	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	116.3080	0.486	4	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.3835	0.403	4	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.5146	3.159	52	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.2265	4.631	55	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.5438	6.167	4	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.7330	6.536	2	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.9135	5.250	4	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.5918	4.364	8	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.1740	6.497	2	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	125.7450	0.369	4	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.2525	4.623	18	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.8870	0.000	1	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.6364	4.531	17	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.8522	4.864	14	119.4247	21.113	204	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	115.4490	0.000	1	118.8060	20.844	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	117.7855	6.171	2	118.8060	20.844	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	119.7057	4.700	6	118.8060	20.844	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	118.8255	6.994	2	117.3847	30.686	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	114.5030	0.000	1	117.3847	30.686	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	114.7370	0.000	1	118.2213	32.507	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	119.9635	6.841	2	118.2213	32.507	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]2H)	124.5880	0.000	1	124.5880	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	117.0817	5.201	4	119.9321	22.976	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.8370	0.000	1	119.9321	22.976	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.2000	0.000	1	119.9321	22.976	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.0670	0.000	1	119.9321	22.976	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.7615	6.872	2	119.9321	22.976	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.3050	0.000	1	119.9321	22.976	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.4548	4.677	28	119.9321	22.976	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.8012	4.978	8	119.9321	22.976	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.3305	5.377	4	119.9321	22.976	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.0443	4.967	8	119.9321	22.976	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.9305	5.455	10	119.9321	22.976	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CF3)	119.6400	0.000	1	119.0052	1.299	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CF3)	118.1640	0.000	1	119.0052	1.299	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CF3)	119.1718	1.438	4	119.0052	1.299	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CF3)	118.8903	1.185	4	119.0052	1.299	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2160	0.000	1	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7520	0.000	1	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.5530	0.000	1	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	121.9097	4.315	7	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5340	0.151	2	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.3999	4.444	35	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|As<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.2985	5.128	6	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.9540	0.000	1	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|B<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9910	0.000	1	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.8915	4.788	4	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.3316	4.846	15	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.6942	4.634	6	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	118.9426	4.463	20	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.1671	4.523	47	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(CH3)	116.5340	0.000	1	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	115.0012	0.760	5	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	115.2710	0.000	1	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.7825	4.453	66	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.2348	4.370	10	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.1310	0.000	1	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Ru<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.7620	0.235	4	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.5510	0.000	1	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.5390	0.000	1	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	118.9718	5.425	5	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.4680	0.000	1	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.7508	4.451	57	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.3553	4.590	9	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6570	0.000	1	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.8590	6.867	2	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	119.7739	4.612	72	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.7825	4.492	40	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(CH3)	120.1470	6.203	2	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.4700	4.897	4	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.9595	4.478	165	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Ir<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0850	6.013	2	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.0825	6.434	2	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.9795	5.467	4	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0775	6.239	2	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.3625	5.027	73	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.9813	4.733	16	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5780	0.000	1	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.8512	4.685	4	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.4405	5.538	4	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.6026	4.665	9	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.5727	3.334	274	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(CH3)	120.7077	5.092	3	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.9874	4.596	135	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.6273	3.068	10	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	118.2687	5.499	3	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ir<6>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9440	0.854	2	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.5711	4.613	11	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	121.7250	5.264	3	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.4015	7.025	2	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.5007	4.448	115	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.6459	4.516	21	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.3111	4.804	24	120.6535	21.076	1315	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CHHO)	123.2690	3.683	12	121.6291	19.795	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHHO)	118.3492	4.254	6	121.6291	19.795	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8920	0.000	1	117.3233	20.235	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2570	0.000	1	117.3233	20.235	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0770	0.000	1	117.3233	20.235	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.0670	0.000	1	117.3233	20.235	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.7070	4.285	5	121.7220	15.264	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	124.2595	0.310	2	121.7220	15.264	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.1128	4.327	6	119.7995	18.078	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	O(C[6a]C[6a]2)(CCHH)	118.8595	5.529	2	119.7995	18.078	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CF3)	118.0260	0.615	2	118.0260	0.378	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	119.5627	5.294	6	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	119.8145	6.409	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	124.6120	0.799	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.0680	4.839	3	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	O(C[6a]C[6a]2)(CH3)	115.5130	0.000	1	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	117.1585	4.736	4	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	124.6720	0.000	1	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	119.7300	5.281	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9440	0.000	1	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.4850	0.000	1	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6060	0.190	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4410	0.000	1	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	119.4040	6.329	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	119.6055	6.747	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	120.3615	6.425	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	123.7930	0.345	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8260	0.000	1	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6790	6.544	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	126.4430	0.000	1	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	116.2220	0.000	1	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8585	6.301	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8255	0.371	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4180	0.458	3	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.4790	0.396	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4010	0.000	1	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3140	0.000	1	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.5745	6.175	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.6395	6.722	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|P<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0605	6.349	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.9295	5.277	2	119.9599	21.257	58	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	114.5830	0.000	1	114.5830	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.4725	6.271	2	119.4725	39.330	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	124.3650	0.000	1	124.3650	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9530	0.191	3	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0075	0.472	2	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.8240	3.610	5	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	115.1440	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4720	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6870	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.2934	4.820	5	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	116.5080	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	124.7913	0.762	3	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.1830	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7400	0.379	2	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	121.3160	4.552	6	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3190	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	121.5452	4.683	6	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1690	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|P<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2830	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7090	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	119.0980	5.275	2	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	123.7235	0.274	2	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	119.5105	6.052	2	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	119.5100	6.265	2	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	117.7085	4.563	4	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9370	0.615	2	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5330	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	113.4070	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){2|Cr<5>,1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	116.2340	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8780	0.170	3	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1240	0.658	2	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.0977	1.015	3	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	115.1140	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3330	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.1058	4.796	12	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2380	0.000	1	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4345	0.831	2	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.1785	0.009	2	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Pt<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	118.8580	5.742	2	119.1218	19.544	87	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	124.2930	0.000	1	121.4763	32.762	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	120.0680	7.323	2	121.4763	32.762	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	113.6250	0.000	1	118.7848	21.531	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	118.0473	5.105	3	118.7848	21.531	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.1080	0.000	1	118.7848	21.531	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.2380	0.000	1	118.7848	21.531	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.7175	4.698	6	118.7848	21.531	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]CH)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5]CH)	114.0130	0.000	1	114.0130	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.1970	0.000	1	115.2397	0.902	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7610	0.416	2	115.2397	0.902	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CHHO)	114.4970	0.000	1	114.4970	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.0970	0.000	1	124.0970	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	114.2610	0.000	1	114.2610	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.5270	0.000	1	115.5270	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.7710	6.438	2	119.7710	41.441	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Fe<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9370	0.000	1	123.9370	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC3)	120.2705	0.626	2	120.0318	15.736	69	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC3)	119.3315	0.424	2	120.0318	15.736	69	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC3)	120.0716	3.420	20	120.0318	15.736	69	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC3)	120.3890	7.285	4	120.0318	15.736	69	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC3)	120.6790	1.527	2	120.0318	15.736	69	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC3)	119.5140	0.549	4	120.0318	15.736	69	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC3)	119.9552	3.745	25	120.0318	15.736	69	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC3)	120.1707	6.185	10	120.0318	15.736	69	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	119.2127	6.449	4	120.2342	23.679	111	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	124.8790	0.361	2	120.2342	23.679	111	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.4235	0.835	2	120.2342	23.679	111	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	124.8470	0.402	4	120.2342	23.679	111	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	120.2910	7.403	2	120.2342	23.679	111	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Au<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	120.0207	3.468	4	120.2342	23.679	111	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	119.9350	6.029	4	120.2342	23.679	111	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	120.2915	4.774	12	120.2342	23.679	111	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCCH)	120.2353	5.185	18	120.2342	23.679	111	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCCH)	120.0312	4.788	16	120.2342	23.679	111	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	119.9344	5.176	14	120.2342	23.679	111	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	119.9475	7.591	2	120.2342	23.679	111	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	120.2444	4.956	26	120.2342	23.679	111	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.1770	0.000	1	120.2342	23.679	111	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCFF)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCFF)	118.6995	1.457	2	118.8275	2.472	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCFF)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCFF)	118.8915	1.843	4	118.8275	2.472	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.7643	0.580	6	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.6401	5.164	7	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.9780	0.349	2	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	123.5635	0.446	4	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	116.5290	0.452	4	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	122.9694	3.053	53	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.1230	0.000	1	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	115.4640	0.000	1	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	115.3395	1.163	2	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.3302	4.351	10	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.7745	6.816	2	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.2477	0.352	3	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.9663	4.728	23	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.5665	4.181	43	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.5266	5.787	7	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.2221	4.692	18	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.4989	4.898	8	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.0655	4.863	32	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.1637	4.552	348	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.1472	4.631	12	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CCHH)	120.0408	5.749	4	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCHH)	120.1852	4.647	121	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	120.1008	4.617	325	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(CCHH)	119.8527	4.774	71	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	120.2227	4.442	360	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CCHH)	120.0752	4.464	24	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<5>}	O(C[6a]C[6a]2)(CCHH)	119.9952	4.775	6	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	120.2109	5.534	14	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CCHH)	119.7245	5.314	4	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.9272	4.705	144	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.7669	4.524	51	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.1374	4.641	695	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	126.4980	0.000	1	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	122.1140	5.056	3	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.2420	0.000	1	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.7350	0.000	1	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	114.5815	0.437	4	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.0158	4.217	27	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Mn<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.4210	0.000	1	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	119.7205	6.366	2	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.2743	4.679	6	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Pt<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	113.0250	0.000	1	120.0908	21.066	2452	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHO)	119.4344	5.178	8	119.4344	26.812	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[3]HH)	119.9855	6.393	2	119.9765	27.881	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[3]HH)	119.9675	6.540	2	119.9765	27.881	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[4]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[4]HH)	119.8835	4.372	8	119.8835	19.111	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]CC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[5]CC)	120.0500	0.561	2	120.0500	0.315	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]CH)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5]CH)	125.7310	0.000	1	125.7310	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	124.1990	0.000	1	120.1206	19.723	80	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	115.8995	0.573	2	120.1206	19.723	80	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	120.5584	4.475	35	120.1206	19.723	80	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	119.6445	4.713	14	120.1206	19.723	80	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[5]HH)	120.4288	4.212	14	120.1206	19.723	80	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	119.4128	4.625	12	120.1206	19.723	80	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	120.0640	7.258	2	120.1206	19.723	80	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	120.8570	7.140	2	120.0101	21.784	62	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	124.9890	0.000	1	120.0101	21.784	62	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	114.9220	0.000	1	120.0101	21.784	62	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	120.0090	6.094	2	120.0101	21.784	62	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	120.1627	4.978	12	120.0101	21.784	62	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	119.8245	6.710	2	120.0101	21.784	62	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[5a]HH)	119.9785	5.021	4	120.0101	21.784	62	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	120.4055	6.261	2	120.0101	21.784	62	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	119.6993	4.870	14	120.0101	21.784	62	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	120.0020	4.654	10	120.0101	21.784	62	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	120.0707	4.775	12	120.0101	21.784	62	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]CC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6]CC)	119.7930	7.741	2	119.7930	59.929	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	124.4790	0.000	1	119.8592	22.881	47	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	114.5675	0.176	2	119.8592	22.881	47	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	119.8535	5.327	2	119.8592	22.881	47	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	120.4892	4.901	4	119.8592	22.881	47	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6]HH)	120.3603	5.193	6	119.8592	22.881	47	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	120.1331	4.464	14	119.8592	22.881	47	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6]HH)	119.6712	5.292	18	119.8592	22.881	47	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]2H)	114.6810	0.000	1	114.6810	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CC[6a]CC)	120.0768	5.474	8	120.0768	29.969	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	119.9430	5.256	6	119.9935	20.091	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]CH)	119.5650	6.944	2	119.9935	20.091	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	120.0078	5.197	4	119.9935	20.091	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]CH)	120.1773	3.836	6	119.9935	20.091	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]Cl2)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]Cl2)	119.1030	0.907	2	119.1506	0.427	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]Cl2)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]Cl2)	119.1823	0.663	3	119.1506	0.427	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.2167	0.758	3	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.9520	0.000	1	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	122.7608	4.973	4	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.6890	0.000	1	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.4700	0.000	1	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.9180	0.000	1	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.6530	6.430	2	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.2910	0.000	1	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.8910	0.000	1	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.5240	0.000	1	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.9380	0.000	1	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.8780	0.000	1	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.9325	6.317	2	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.3875	3.239	15	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	113.6960	0.000	1	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.1470	4.604	49	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.2245	4.819	83	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.0987	5.034	6	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.0891	4.537	60	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.0165	7.619	2	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.1172	4.708	16	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.2278	4.227	30	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.9469	4.702	56	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.1152	4.594	50	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.0298	4.684	131	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Se<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.0300	6.429	2	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.0175	5.249	4	119.9624	21.440	525	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCl2O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCl2O)	118.8485	0.386	4	118.8485	0.149	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CF3)	119.0250	0.000	1	118.8565	6.226	52	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CF3)	119.9930	0.776	2	118.8565	6.226	52	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CF3)	118.5490	0.000	1	118.8565	6.226	52	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CF3)	119.0637	2.936	6	118.8565	6.226	52	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CF3)	118.8820	3.345	18	118.8565	6.226	52	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CF3)	118.8727	1.736	4	118.8565	6.226	52	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CF3)	118.7721	2.316	8	118.8565	6.226	52	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Re<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CF3)	118.7645	1.518	2	118.8565	6.226	52	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CF3)	119.0410	0.000	1	118.8565	6.226	52	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CF3)	118.8765	1.499	4	118.8565	6.226	52	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CF3)	119.0932	1.475	4	118.8565	6.226	52	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CF3)	114.6020	0.000	1	118.8565	6.226	52	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CFFH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CFFH)	119.8328	3.728	6	119.8328	13.897	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8270	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.5110	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6680	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	125.5680	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.0210	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.1216	4.359	7	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.0230	0.281	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0072	5.205	6	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7730	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|B<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.7820	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	121.2912	4.441	12	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.3396	4.596	14	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0083	4.685	6	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	115.7620	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.0922	4.472	20	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.4512	4.426	60	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(CH3)	124.6895	0.747	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	125.3056	0.601	5	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	123.9620	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.5130	4.556	133	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.2011	4.364	11	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	112.3550	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ru<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2460	0.521	4	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1645	6.474	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.9430	0.590	3	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.4780	7.285	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9430	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0720	5.129	6	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9360	0.333	3	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	125.0980	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	125.1913	0.217	3	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.5982	4.545	19	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.6536	4.589	19	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(CH3)	124.3085	0.255	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.6197	4.479	114	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	125.2450	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.9590	5.396	3	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.5920	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<8>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3320	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Rh<8>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8790	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.4962	4.871	6	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.7340	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.0833	4.127	38	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	121.9802	4.630	4	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.4111	3.307	21	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	119.8265	6.302	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	124.3510	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.5361	4.687	13	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.2492	4.308	217	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	125.3230	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9688	0.548	6	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	119.7400	5.515	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.6100	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.3890	5.725	3	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2810	5.574	3	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.3650	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	117.7612	4.003	5	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.6646	4.722	9	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8040	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.2920	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.2760	0.021	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8500	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|As<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0132	5.153	6	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0890	4.618	38	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|B<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.2921	4.735	18	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.1258	4.475	198	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.1550	4.491	3435	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<5>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0360	5.332	4	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	119.8185	8.207	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<2>}	O(C[6a]C[6a]2)(CH3)	119.7530	4.863	12	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	120.0321	4.600	259	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	120.1434	4.469	2182	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(CH3)	120.2089	4.696	34	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.1621	4.411	202	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<4>}	O(C[6a]C[6a]2)(CH3)	120.3655	6.189	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<3>}	O(C[6a]C[6a]2)(CH3)	120.1610	4.886	16	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	120.0244	4.547	377	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<5>}	O(C[6a]C[6a]2)(CH3)	120.1355	4.357	24	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<6>}	O(C[6a]C[6a]2)(CH3)	119.9335	6.821	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	120.1501	4.629	180	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)(CH3)	120.2660	4.615	38	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	119.8566	4.622	184	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.8744	4.669	28	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ca<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.2330	6.034	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1167	4.531	4834	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<7>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.1730	5.556	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.4080	4.599	4	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Os<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.6125	6.713	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.9870	7.003	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.4942	6.062	6	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.9505	5.658	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.9422	4.425	26	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pt<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.5087	5.044	4	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0838	4.640	12	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Se<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.3312	5.470	4	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.1358	4.504	58	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.5185	4.642	8	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Sn<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0323	5.311	4	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Te<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.2913	5.114	6	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Te<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.1286	4.824	16	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Fe<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6620	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Au<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.2350	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.0191	4.808	21	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3710	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.9790	4.270	5	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.1077	5.148	4	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	119.4626	4.557	10	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.4330	3.502	298	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(CH3)	120.0490	4.845	3	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.8052	4.557	192	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.8130	4.280	22	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.3780	4.480	4	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5395	0.462	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.7729	0.622	8	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.2213	4.121	9	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ir<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	120.4125	5.225	4	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ir<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.1580	4.992	8	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Os<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.7670	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.0858	4.958	22	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	115.7040	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	120.5370	5.838	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.2780	4.749	12	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.8457	5.806	3	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pt<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3950	0.194	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	120.3120	6.561	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0075	0.120	2	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.2820	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2860	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ru<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.6243	0.278	4	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ru<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8650	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0870	0.000	1	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Sn<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.8438	4.375	4	120.0432	20.371	13698	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CHHO)	116.4572	3.395	12	117.5432	17.926	15	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CHHO)	120.0645	5.788	2	117.5432	17.926	15	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CHHO)	125.5330	0.000	1	117.5432	17.926	15	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[5a]CH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CN[5a]CH)	119.4445	7.118	2	119.6405	33.813	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[5a]CH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CN[5a]CH)	119.8365	7.114	2	119.6405	33.813	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CN[5a]HH)	119.7493	5.454	4	119.7646	25.598	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CN[5a]HH)	119.8240	7.384	2	119.7646	25.598	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CN[5a]HH)	119.7360	5.952	2	119.7646	25.598	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	114.6033	0.851	3	114.9640	0.776	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	115.5050	0.824	2	114.9640	0.776	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ir<6>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.4370	1.068	2	118.3742	21.276	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.0509	0.852	8	118.3742	21.276	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.6036	4.473	10	118.3742	21.276	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ir<6>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.2890	0.000	1	118.3742	21.276	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ir<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	119.4843	5.921	4	118.3742	21.276	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ir<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.7258	5.317	8	118.3742	21.276	33	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Mn)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Mn<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Mn)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	114.9140	0.000	1	114.9140	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	124.5615	0.719	2	124.5615	0.517	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	125.4460	0.000	1	118.5870	24.817	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	124.8650	0.764	2	118.5870	24.817	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.3000	4.771	4	118.5870	24.817	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.5796	4.628	10	118.5870	24.817	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	114.3940	0.000	1	118.5870	24.817	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.4010	0.000	1	119.5825	67.710	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	113.7640	0.000	1	119.5825	67.710	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9360	0.000	1	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.5930	0.000	1	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	118.9245	6.201	2	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.5180	0.000	1	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.0628	4.723	6	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.2065	0.190	2	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	115.5900	0.000	1	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	114.9103	0.247	4	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	118.6067	4.676	19	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.0313	4.882	12	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<3>}	O(C[6a]C[6a]2)(CH3)	114.5355	0.169	2	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.7656	4.457	95	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0400	0.000	1	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.8710	5.586	3	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.6088	5.281	5	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	123.6605	0.234	2	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.4170	3.155	8	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.2770	0.000	1	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.1992	4.456	51	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.0990	0.000	1	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<4>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.9610	6.295	2	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.3884	5.096	11	119.4793	20.452	231	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.0965	0.023	2	124.0965	0.001	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.5395	5.282	4	119.9271	21.422	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5270	0.000	1	119.9271	21.422	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.7350	0.000	1	119.9271	21.422	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.6750	0.000	1	119.9271	21.422	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.0940	0.000	1	119.9271	21.422	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|Se<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6440	0.000	1	119.9271	21.422	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|Se<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7970	0.000	1	119.9271	21.422	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.5987	5.064	3	119.9271	21.422	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|Se<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5530	0.000	1	119.9271	21.422	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	123.7062	0.319	4	123.7062	0.102	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.3620	0.000	1	124.3620	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7660	0.000	1	120.1749	21.921	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.0162	4.656	4	120.1749	21.921	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2523	0.141	4	120.1749	21.921	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.1060	6.138	2	120.1749	21.921	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|Si<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9920	0.000	1	120.1749	21.921	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.7020	6.249	2	120.1749	21.921	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.6400	0.000	1	121.3833	20.185	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5080	0.000	1	121.3833	20.185	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8250	0.000	1	121.3833	20.185	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4620	0.000	1	121.3833	20.185	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|S<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.3360	0.000	1	121.3833	20.185	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5290	0.000	1	121.3833	20.185	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.3397	4.512	14	120.3397	20.355	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.1230	6.258	2	120.2650	18.664	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.3360	4.247	4	120.2650	18.664	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9540	0.000	1	118.0140	13.975	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2510	0.511	2	118.0140	13.975	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	123.6000	0.000	1	118.0140	13.975	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.2665	5.889	2	121.1022	21.901	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.2860	0.000	1	121.1022	21.901	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	121.4767	5.717	3	121.1022	21.901	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.3200	5.601	3	121.1022	21.901	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<2>,1|P<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5760	0.130	2	121.1022	21.901	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<2>,1|P<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	122.3515	4.807	4	121.1022	21.901	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<2>,1|P<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3577	0.177	3	121.1022	21.901	18	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8070	0.000	1	120.5220	20.876	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	122.8508	3.556	5	120.5220	20.876	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.1751	4.884	9	120.5220	20.876	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4560	0.000	1	120.5220	20.876	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.1820	0.000	1	120.5220	20.876	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.6830	0.000	1	120.5220	20.876	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.2590	0.000	1	120.5220	20.876	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<2>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.8730	6.276	2	120.5220	20.876	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	125.1240	0.000	1	121.6590	22.617	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.9705	6.041	2	121.6590	22.617	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.6150	6.232	2	121.6590	22.617	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.6282	5.527	6	120.6282	30.549	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1400	0.000	1	120.1089	21.271	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.5080	6.355	2	120.1089	21.271	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.5517	5.352	4	120.1089	21.271	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.5088	4.520	6	120.1089	21.271	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.4160	0.000	1	120.2467	26.863	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	123.4737	4.604	4	120.2467	26.863	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.7080	0.255	2	120.2467	26.863	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.7840	5.930	2	120.7840	35.162	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.8270	0.386	2	120.6064	19.466	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.5320	4.808	7	120.6064	19.466	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.9110	0.000	2	120.6064	19.466	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.3415	5.622	2	120.6064	19.466	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	125.4200	0.437	2	125.4200	0.191	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5060	0.000	1	121.9447	22.636	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.6640	5.952	2	121.9447	22.636	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	113.6190	0.000	1	113.6190	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	113.7040	0.000	1	113.8265	0.030	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	113.9490	0.000	1	113.8265	0.030	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.7960	0.000	1	125.7960	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	125.3120	0.000	1	125.6677	0.116	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	125.8455	0.204	2	125.6677	0.116	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	114.3715	0.668	4	117.4690	28.422	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	119.6640	7.562	2	117.4690	28.422	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	125.4690	0.000	1	117.4690	28.422	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.8054	4.791	56	119.7261	22.081	202	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.2760	6.501	2	119.7261	22.081	202	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.2297	0.430	3	119.7261	22.081	202	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.4023	5.115	23	119.7261	22.081	202	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	121.7690	4.224	43	119.7261	22.081	202	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.8017	4.490	10	119.7261	22.081	202	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.3251	4.395	38	119.7261	22.081	202	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.3566	4.612	27	119.7261	22.081	202	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	120.0115	5.232	2	121.5025	12.451	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	122.9935	1.043	2	121.5025	12.451	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	123.8180	0.000	1	119.4816	25.037	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	118.7588	5.065	6	119.4816	25.037	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	124.0620	0.235	2	121.7272	25.254	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	119.3925	7.342	2	121.7272	25.254	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.8894	4.822	28	120.1876	22.623	54	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.1090	6.235	2	120.1876	22.623	54	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.0853	3.267	15	120.1876	22.623	54	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.9730	0.000	1	120.1876	22.623	54	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.9699	4.966	8	120.1876	22.623	54	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	114.6400	0.000	1	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	123.9250	0.000	1	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.4881	4.614	35	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1135	0.162	2	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.6138	5.179	6	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.6740	0.000	1	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.7284	4.498	76	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.4976	4.481	14	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.0800	0.000	1	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.0640	0.000	1	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.5405	4.230	38	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	117.0667	4.257	4	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	116.0021	3.195	21	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	119.2560	6.435	2	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	114.6880	0.000	1	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.9818	4.869	13	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.1107	4.340	218	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2690	0.000	1	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.2820	0.583	6	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	122.1857	3.169	8	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.2260	0.000	1	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.4350	4.477	58	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.9700	0.000	1	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5440	0.000	1	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.3105	6.950	2	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<2>,1|O<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.8918	5.316	4	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<2>,1|P<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5360	0.167	2	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<2>,1|P<4>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.7765	4.847	4	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<2>,1|P<4>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.1790	0.090	3	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<2>,1|S<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.0515	6.660	2	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.0605	5.792	2	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.1795	4.526	129	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|P<2>}	O(C[6a]C[6a]2)(CH3)	119.0665	6.011	2	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|P<3>}	O(C[6a]C[6a]2)(CH3)	119.1435	6.158	2	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	119.1790	4.322	22	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.4048	4.777	38	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Fe<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.1310	5.902	2	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.1841	4.619	131	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Ir<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.3125	5.878	2	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.3625	4.637	10	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.2759	4.554	58	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	123.8920	0.000	1	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.2595	0.422	2	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ir<6>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.2100	0.000	1	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.7623	5.514	3	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.1935	7.623	2	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.7770	4.584	193	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.6638	4.572	23	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pd<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.4590	0.184	2	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pd<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4060	4.327	4	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Si<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9475	0.286	2	119.4734	20.992	1159	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHHO)	120.0847	4.382	6	119.8278	23.172	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.4425	6.098	4	119.8278	23.172	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Os<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.0920	0.000	1	115.0920	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.6052	4.833	23	119.6447	22.288	44	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	124.0970	0.000	1	119.6447	22.288	44	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	120.5940	7.840	2	119.6447	22.288	44	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.0453	4.750	12	119.6447	22.288	44	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pd<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.5705	0.152	2	119.6447	22.288	44	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pd<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.1195	4.130	4	119.6447	22.288	44	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	120.0540	6.217	2	119.5088	21.413	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.8128	4.892	6	119.5088	21.413	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|Pt<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.5940	0.000	1	119.5088	21.413	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.2120	6.095	3	122.2508	20.596	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Pt<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8090	0.008	2	122.2508	20.596	5	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	118.7930	6.457	2	116.7645	19.411	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.7360	0.279	2	116.7645	19.411	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1660	0.000	1	116.7813	14.210	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9840	0.000	1	116.7813	14.210	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ru<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.2592	0.201	4	116.7813	14.210	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Ru<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.2820	0.000	1	116.7813	14.210	7	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.5030	0.000	1	120.8940	19.837	19	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Si<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5225	0.117	2	120.8940	19.837	19	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){2|Si<4>,1|C<3>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.2149	4.548	16	120.8940	19.837	19	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|Sn<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	122.1022	4.235	4	122.1022	17.932	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	120.5920	7.416	2	120.5920	54.999	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.9928	4.909	4	119.9928	24.095	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.0585	0.330	2	118.3017	20.939	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.5450	6.525	2	118.3017	20.939	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	124.9960	0.000	1	121.6487	20.984	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	122.2643	4.414	4	121.6487	20.984	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8390	0.000	1	121.6487	20.984	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	124.8540	0.000	2	124.8540	0.000	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]O[6a]C[4])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]O[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.3200	0.000	1	113.3200	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	126.3840	0.000	1	122.4823	19.367	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<8>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.5315	3.987	2	122.4823	19.367	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CIrHH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CIrHH)	116.7990	0.000	1	118.7852	1.811	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CIrHH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<8>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CIrHH)	119.6060	0.143	2	118.7852	1.811	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CIrHH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<8>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CIrHH)	119.1300	0.000	1	118.7852	1.811	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CN[6]CH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CN[6]CH)	112.2390	0.000	1	112.2390	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.9405	0.385	2	123.9405	0.149	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.7523	0.185	3	124.7523	0.034	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.3910	0.000	1	120.3910	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.5450	0.000	1	124.5450	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCCH)	124.3880	0.205	2	124.9723	0.678	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCCH)	125.5565	0.791	2	124.9723	0.678	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	125.1040	0.000	1	125.4255	0.763	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	125.9730	0.133	2	125.4255	0.763	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	125.1677	1.203	3	125.4255	0.763	6	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[4]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[4]HH)	120.2298	0.672	13	120.2298	0.452	13	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.9220	0.000	1	125.0935	0.453	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.5070	0.000	1	125.0935	0.453	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.5800	0.314	2	125.0935	0.453	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.9335	0.821	2	125.0935	0.453	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.9446	0.296	10	125.0935	0.453	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.4993	0.560	4	125.0935	0.453	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.2965	0.353	2	125.0935	0.453	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.0940	0.789	22	125.0935	0.453	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	124.5880	0.000	1	125.0935	0.453	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.1500	0.000	1	125.0935	0.453	46	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.2230	0.000	1	123.2230	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.9670	0.000	1	125.9670	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.8799	0.698	11	123.5422	0.884	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|Ir<6>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.0190	0.000	1	123.5422	0.884	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.9465	0.073	2	123.5422	0.884	14	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CF3)	119.0800	0.000	1	119.0800	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	124.7560	0.569	2	124.7560	0.323	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.3405	0.251	2	124.3405	0.063	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	118.7540	0.762	2	122.1208	15.409	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	125.4875	0.552	2	122.1208	15.409	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	122.9525	0.018	2	124.7317	0.792	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.2300	0.000	1	124.7317	0.792	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.0215	0.391	2	124.7317	0.792	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.2850	0.000	1	124.7317	0.792	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.1760	0.330	5	124.7317	0.792	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	124.4370	0.000	1	124.7317	0.792	12	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.4520	0.000	1	125.4520	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.9200	0.000	1	123.9200	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	123.7399	0.953	8	123.7399	0.908	8	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.2975	0.744	4	124.2703	0.814	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.3310	0.713	2	124.2703	0.814	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.9372	0.756	42	124.2703	0.814	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	122.5780	0.000	1	124.2703	0.814	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.6930	0.000	1	124.2703	0.814	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(CH3)	123.2880	0.000	1	124.2703	0.814	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.7776	0.482	9	124.2703	0.814	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.9490	0.423	2	124.2703	0.814	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.4435	0.141	2	124.2703	0.814	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.5470	0.238	3	124.2703	0.814	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.1830	0.000	1	124.2703	0.814	68	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	121.4640	0.000	1	121.4640	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.4730	0.000	1	124.4730	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CCHH)	123.4855	0.477	2	123.4855	0.228	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.7550	0.000	1	124.6840	0.010	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	124.6130	0.000	1	124.6840	0.010	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.2305	0.240	2	124.5050	0.255	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	125.0540	0.000	1	124.5050	0.255	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	125.5335	0.179	2	125.5335	0.032	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	123.7410	0.000	1	123.7410	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	121.8520	2.673	2	121.8520	7.144	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.2240	0.133	2	123.3143	0.033	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.4950	0.000	1	123.3143	0.033	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	121.3590	0.000	1	121.3590	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.3940	0.000	1	123.3940	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	120.9630	0.000	1	122.3070	3.613	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	123.6510	0.000	1	122.3070	3.613	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<4>}	O(C[6a]C[6a]2)(CC[3]HH)	123.9090	0.000	1	123.9090	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<3>}	O(C[6a]C[6a]2)(CH3)	121.9310	0.000	1	122.6835	1.133	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	123.4360	0.000	1	122.6835	1.133	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.9770	0.000	1	122.9770	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CPdCH)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CPdCH)	119.0450	0.000	1	119.0450	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Pd<4>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.3140	0.000	1	124.3140	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.6395	0.141	2	122.6395	0.020	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Re)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Re)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|Re<9>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	122.6135	0.255	2	122.6135	0.065	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Rh<8>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0280	4.527	2	120.0280	20.493	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|Sb<4>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	125.7360	2.006	3	125.3728	1.158	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Sb<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	125.1912	0.352	6	125.3728	1.158	9	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	124.8740	0.240	3	124.8740	0.058	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	123.1480	0.000	1	124.5513	1.519	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	125.4580	0.000	1	124.5513	1.519	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	125.0480	0.000	1	124.5513	1.519	3	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){2|Se<2>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	123.8990	0.000	1	123.8990	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.2625	0.076	2	124.2625	0.006	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.7070	0.328	6	123.1949	0.277	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.0790	0.000	1	123.1949	0.277	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.2873	0.349	4	123.1949	0.277	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.3622	0.483	10	123.1949	0.277	21	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.6260	0.000	1	121.8459	0.297	57	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	121.8320	0.540	56	121.8459	0.297	57	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.4295	0.384	2	122.4295	0.147	2	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Sn<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	124.2359	0.585	10	124.2359	0.342	10	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(OC){1|Sn<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]O)(H){1|Sn<4>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	125.6600	0.350	4	125.6600	0.122	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Zn<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	123.1300	0.000	1	123.1300	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(OC){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	124.8040	0.000	1	124.8040	0.000	1	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	124.4062	0.939	4	124.4062	0.883	4	121.2351	19.042	34556	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]H)2(OC[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[3]C[3]2H)	C[6a](C[6a]C[6a]H)2(OC[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[3]C[3]2H)	119.8070	5.378	2	119.9660	23.957	6	119.9660	23.957	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]H)2(OC[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[3]C[3]2H)	C[6a](C[6a]C[6a]H)2(OC[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(C[3]C[3]2H)	120.0455	5.501	4	119.9660	23.957	6	119.9660	23.957	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[4])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[4]C[4]2H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[4]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[4]C[4]2H)	114.0150	0.000	1	114.0150	0.000	1	119.9452	19.153	70	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[4]C[4]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(C[4]C[4]2H)	124.0370	0.000	1	124.0370	0.000	1	119.9452	19.153	70	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[4]C[4]2H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(C[4]C[4]2H)	125.2175	0.146	2	125.2175	0.021	2	119.9452	19.153	70	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[4]C[4]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(C[4]C[4]2H)	119.9193	3.249	4	119.9193	10.555	4	119.9452	19.153	70	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]H)2(OC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[4]C[4]2F)	C[6a](C[6a]C[6a]H)2(OC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[4]C[4]2F)	119.1770	6.551	2	119.1770	42.911	2	119.9452	19.153	70	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]H)2(OC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[4]C[4]2H)	C[6a](C[6a]C[6a]H)2(OC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[4]C[4]2H)	119.8264	4.425	56	119.8274	19.279	60	119.9452	19.153	70	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]H)2(OC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[4]C[4]2H)	C[6a](C[6a]C[6a]H)2(OC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[4]C[4]2H)	119.8418	4.492	4	119.8274	19.279	60	119.9452	19.153	70	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(C[5]C[5]2O)	117.6320	0.000	1	117.6320	0.000	1	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[5]C[5]2O)	118.4410	0.479	8	118.4410	0.229	8	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	118.0530	0.000	1	115.6923	7.434	3	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	116.3160	0.000	1	115.6923	7.434	3	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	112.7080	0.000	1	115.6923	7.434	3	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	119.1130	0.000	1	119.1130	0.000	1	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	115.0010	0.000	1	115.0010	0.000	1	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	125.0030	0.000	1	120.3619	24.139	21	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	120.1175	4.120	6	120.3619	24.139	21	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	120.0900	5.207	2	120.3619	24.139	21	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	119.9930	6.870	2	120.3619	24.139	21	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	119.8580	7.150	2	120.3619	24.139	21	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	120.2511	5.971	8	120.3619	24.139	21	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]C[5]3)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]3)	119.5058	5.786	4	119.5058	33.473	4	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]O[5]2O)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[5]O[5]2O)	119.2037	0.465	4	119.4090	1.607	8	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[5]O[5]2O)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[5]O[5]2O)	119.6142	1.850	4	119.4090	1.607	8	119.3031	15.242	47	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	114.8990	0.000	1	114.8990	0.000	1	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	123.4510	0.000	1	123.4510	0.000	1	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2O)	117.3640	0.867	2	117.3640	0.752	2	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	113.8448	0.546	4	113.8448	0.298	4	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2O)	118.4340	0.440	2	118.4340	0.193	2	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	123.6855	3.724	2	122.5237	10.985	3	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	120.2000	0.000	1	122.5237	10.985	3	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2C)	119.4860	0.000	1	119.4860	0.000	1	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	115.7535	1.949	2	115.7535	3.801	2	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	126.4780	0.000	1	126.4780	0.000	1	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	123.1510	3.673	2	123.1510	13.489	2	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	122.3940	3.374	2	122.3940	11.386	2	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	115.5680	0.000	1	115.5680	0.000	1	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	120.0905	7.192	2	119.9390	21.898	32	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	120.1730	5.313	2	119.9390	21.898	32	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	120.1925	6.509	2	119.9390	21.898	32	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	120.0340	5.793	6	119.9390	21.898	32	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	119.9682	4.882	4	119.9390	21.898	32	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	119.7730	1.635	2	119.9390	21.898	32	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	119.8224	4.914	14	119.9390	21.898	32	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	113.2963	0.273	4	113.2963	0.074	4	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	126.4098	0.404	4	126.4098	0.163	4	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	125.6150	0.140	2	125.6150	0.020	2	119.7676	23.691	64	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ga-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGa)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(GaC[5]CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGa){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(GaC[5]CC)	120.3335	1.381	2	120.3335	1.907	2	120.3335	1.907	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ge-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OGe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(GeClOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OGe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(GeClOO)	120.6145	0.046	2	120.6145	0.002	2	120.8123	0.118	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ge-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OGe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(GeHOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OGe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(GeHOO)	121.2080	0.000	1	121.2080	0.000	1	120.8123	0.118	3	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OP){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PO3)	122.6065	0.364	2	122.6065	0.133	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6,6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6,6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|Ir<4>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PIrCC)	118.2740	0.000	1	118.2740	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Mo)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]2Mo)	121.1920	1.351	2	121.1920	1.824	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Pt)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]2Pt)	119.6310	1.270	2	119.6310	1.613	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Se)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]2Se)	120.5705	0.367	2	120.5705	0.135	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PO3)	115.3525	0.853	2	115.3525	0.728	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POOS)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(POOS)	116.5535	1.032	2	116.5535	1.064	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PBCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PBCO)	115.8487	0.815	4	115.8487	0.664	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCOS)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PCOS)	117.3440	0.000	1	117.3440	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[5]OO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PC[5]OO)	117.0955	0.482	2	117.0955	0.232	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[5]PdN)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PC[5]PdN)	120.8075	1.940	2	120.8075	3.762	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6]SeO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PC[6]SeO)	116.8550	1.592	2	116.8550	2.536	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PC[6a]2O)	118.7370	1.345	2	118.7370	1.809	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]IrO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PC[6a]IrO)	117.4850	0.536	2	117.4850	0.287	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]MoO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PC[6a]MoO)	117.4615	0.248	2	117.4615	0.062	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]PdO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PC[6a]PdO)	117.6529	0.561	8	117.6529	0.315	8	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]RhO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PC[6a]RhO)	117.1035	0.586	2	117.1035	0.344	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PClOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PClOO)	117.0615	1.091	2	117.0615	1.190	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCoNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PCoNO)	118.4500	0.375	2	118.4500	0.140	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PFeNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PFeNO)	117.4550	1.015	6	117.4550	1.031	6	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PIrNO)	117.2938	0.610	12	117.2938	0.373	12	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PNNO)	116.4694	0.675	5	116.4694	0.455	5	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PNOO)	117.0375	0.692	2	117.0375	0.479	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PN[6]RuO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PN[6]RuO)	116.0855	0.459	2	116.0855	0.211	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PNiNO)	117.1508	0.898	8	117.1508	0.806	8	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PO3)	117.4835	0.663	26	117.4835	0.440	26	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PPdCO)	117.0435	1.320	2	117.0435	1.743	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PPdNO)	116.8544	1.727	10	116.8544	2.984	10	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PPdOO)	116.9333	1.116	12	116.9333	1.245	12	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPtCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PPtCO)	117.0040	0.017	2	117.0040	0.000	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPtNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PPtNO)	116.9682	1.354	6	116.9682	1.833	6	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPtOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PPtOO)	116.9425	0.019	2	116.9425	0.000	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRhNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PRhNO)	116.9145	1.005	16	116.9145	1.009	16	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PRhOO)	120.2255	0.162	2	120.2255	0.026	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRuNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PRuNO)	117.3475	0.121	4	117.3475	0.015	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PRuOO)	116.9942	1.063	6	116.9942	1.129	6	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PSeCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PSeCO)	116.6189	0.756	8	116.6189	0.572	8	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2S)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]2S)	113.3510	0.000	1	113.3510	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Se)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]2Se)	113.0180	0.000	1	113.0180	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POOS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(POOS)	119.4565	0.021	2	119.4565	0.000	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a,6a]Ir)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|Ir<6>,2|C<3>}	O(C[6a]C[6a]2)(PIrCC)	123.4540	0.000	1	123.4540	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|S<3>,2|C<3>}	O(C[6a]C[6a]2)(PPdOO)	114.4875	1.585	2	114.4875	2.511	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PCOO)	117.3805	0.735	2	117.3805	0.540	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[5a]OO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PC[5a]OO)	118.2725	0.308	2	118.2725	0.095	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[5a]SeO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PC[5a]SeO)	117.7195	0.757	2	117.7195	0.574	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]2O)	121.3490	0.000	1	121.3490	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Pd)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]2Pd)	118.7775	0.144	2	118.7775	0.021	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]PdO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]PdO)	117.7700	1.491	2	117.7700	2.222	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]PtO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]PtO)	118.1615	0.716	2	118.1615	0.513	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]RhO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]RhO)	118.8748	0.791	4	118.8748	0.626	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PHOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PHOO)	119.1860	0.000	1	119.1860	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PIrOO)	117.3400	0.474	2	117.3400	0.224	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PMoFO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PMoFO)	117.7435	0.575	4	117.7435	0.331	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PMoOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PMoOO)	117.8366	0.676	16	117.8366	0.456	16	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PNNO)	117.9106	0.564	14	117.9106	0.319	14	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PNOO)	117.8255	0.603	2	117.8255	0.364	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PNiCC)	118.9495	0.706	2	118.9495	0.499	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PNiNO)	117.5315	1.377	2	117.5315	1.895	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PO3)	118.2417	0.944	6	118.6250	2.497	8	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PO3)	119.7750	3.082	2	118.6250	2.497	8	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POOS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(POOS)	118.4140	0.140	2	118.4140	0.020	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PPdCC)	118.6140	0.554	4	118.6140	0.306	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PPdNO)	117.4192	0.912	12	117.4192	0.832	12	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PRhOO)	118.7587	0.858	3	119.5050	2.719	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PRhOO)	121.7440	0.000	1	119.5050	2.719	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRuNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PRuNO)	119.3845	3.006	4	119.3845	9.039	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PRuOO)	118.3235	0.762	4	118.3235	0.581	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PO3)	120.6355	0.894	2	120.6355	0.800	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PCHO)	121.0570	0.000	1	121.0570	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]PdO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]PdO)	119.8683	0.654	3	119.8683	0.428	3	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]PtO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]PtO)	119.7603	1.308	3	119.7603	1.711	3	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCl2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PCl2O)	120.3787	0.036	3	120.5674	0.113	5	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCl2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PCl2O)	120.8505	0.425	2	120.5674	0.113	5	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PClNN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PClNN)	118.0484	1.100	7	118.0484	1.211	7	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PClOS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(PClOS)	118.9690	3.978	2	119.1743	6.193	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PClOS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PClOS)	119.3795	1.607	2	119.1743	6.193	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCoOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PCoOO)	120.3483	0.728	3	120.3483	0.530	3	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PIOO)	118.3757	1.536	3	118.3757	2.358	3	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PMoFO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PMoFO)	117.4045	1.113	4	117.4045	1.239	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PNiCC)	117.6655	0.967	2	117.6655	0.934	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PO3)	120.9490	0.000	1	120.9490	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PPdNO)	120.4490	0.733	2	120.4490	0.537	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PPdOO)	120.1308	1.752	6	120.2820	2.091	9	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PPdOO)	120.5843	0.699	3	120.2820	2.091	9	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PRuOO)	118.8780	1.655	3	118.8780	2.740	3	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PCOO)	117.0955	1.156	2	117.0955	1.337	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PC[6a]OO)	118.2537	0.802	8	118.2537	0.643	8	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PIrCC)	112.8300	0.000	1	112.8300	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PPdOO)	120.6843	1.983	4	120.6843	3.931	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PO3)	123.3280	0.000	1	123.3280	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OP){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PRuOO)	117.4280	0.000	1	117.4280	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PO3)	121.3790	0.000	1	121.3790	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POOS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(POOS)	120.3760	0.000	1	120.8520	0.453	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POOS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(POOS)	121.3280	0.000	1	120.8520	0.453	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Co)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Co<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Co)	120.9370	0.421	2	120.9370	0.178	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Fe)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Fe<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Fe)	119.8360	0.107	2	119.8360	0.012	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PFeCC)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Fe<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PFeCC)	118.7620	0.095	2	119.4981	0.196	14	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PFeCC)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Fe<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PFeCC)	119.6208	0.341	12	119.4981	0.196	14	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PFeCC)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(OP){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Fe<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PFeCC)	119.0655	0.066	2	119.0655	0.004	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(PC[6a]2S)	123.4005	0.168	2	123.4005	0.028	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(PC[6a]3)	127.0040	0.000	1	127.0040	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(PC[6a]OO)	121.0058	2.245	4	121.0058	5.038	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(PO3)	122.6260	0.000	1	122.6260	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[5]PdO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(PC[5]PdO)	120.9955	1.880	4	120.9955	3.536	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[5]PtO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(PC[5]PtO)	120.9465	1.944	4	120.9465	3.781	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Cu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(PC[6a]2Cu)	121.2857	3.611	4	121.2857	13.038	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(PC[6a]2O)	123.6350	0.000	1	123.6350	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCuNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(PCuNO)	122.6479	1.496	8	122.6133	1.470	28	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCuNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(PCuNO)	122.5995	1.124	20	122.6133	1.470	28	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(PO3)	121.3350	0.000	1	120.6480	0.944	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(PO3)	119.9610	0.000	1	120.6480	0.944	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRhNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(PRhNO)	121.7823	0.978	4	121.7823	0.956	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(PIrOO)	117.8270	0.000	1	117.8270	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(PRhOO)	116.4365	0.084	2	116.4365	0.007	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(PRuOO)	115.1060	0.099	2	115.1060	0.010	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]Fe2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)(PC[6a]Fe2)	115.8125	0.517	2	115.8125	0.267	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PClFe2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)(PClFe2)	115.7655	0.286	2	115.7655	0.082	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PFe2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)(PFe2O)	116.0470	0.305	2	116.0470	0.093	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POOS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|S<2>}	O(C[6a]C[6a]2)(POOS)	118.1255	0.180	2	118.1255	0.033	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Rh)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OP){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(PC[6a]2Rh)	125.4790	0.000	1	125.4790	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OP){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(PO3)	124.8270	0.000	1	124.8270	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Ni)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Ni)	118.6955	6.269	2	118.6955	39.294	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2S)	C[6a](C[6a]C[6a]H)2(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2S)	116.0810	0.692	2	116.0810	0.478	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]OO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]OO)	122.1902	0.646	4	122.1902	0.417	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PO3)	120.7520	3.735	2	120.7520	13.950	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PBOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PBOO)	118.9703	1.977	6	118.9703	3.909	6	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCNO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PCNO)	119.0150	0.833	2	119.2645	7.408	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCNO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PCNO)	119.5140	4.613	2	119.2645	7.408	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PCOO)	119.1054	2.283	50	119.1053	5.459	52	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PCOO)	119.1025	4.789	2	119.1053	5.459	52	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[5]2Pt)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PC[5]2Pt)	119.6437	2.576	4	119.6437	6.635	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[5]OO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[5]OO)	119.0063	3.163	8	119.0063	10.004	8	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6]Mo2)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6]Mo2)	120.0945	6.950	2	120.0945	48.305	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6]OO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6]OO)	119.0097	1.929	4	119.0097	3.719	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Fe)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Fe)	120.5145	0.979	2	120.5145	0.959	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Ir)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Ir)	119.5605	4.093	2	119.5605	16.756	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Ni)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Ni)	119.6795	4.922	2	119.6795	24.228	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2O)	117.5905	0.292	2	118.8287	3.058	10	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2O)	119.3465	2.853	2	118.8287	3.058	10	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(PC[6a]2O)	119.0688	1.752	6	118.8287	3.058	10	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Ru)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Ru)	119.4715	5.938	4	119.4715	35.260	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2S)	C[6a](C[6a]C[6a]H)2(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2S)	122.2530	1.160	2	122.2530	1.345	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]NS)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(PC[6a]NS)	119.1180	0.327	2	119.1180	0.107	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]OO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]OO)	115.8730	0.485	4	117.7914	4.140	10	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]OO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]OO)	119.0703	1.551	6	117.7914	4.140	10	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]OS)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]OS)	119.2668	3.751	6	119.2668	14.071	6	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]Ru2)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]Ru2)	120.4405	6.266	2	120.4405	39.259	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PClNO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PClNO)	118.8475	1.249	2	118.8475	1.561	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PClOS)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PClOS)	118.4115	0.037	2	118.4115	0.001	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCoOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PCoOO)	119.1808	2.315	30	119.1808	5.360	30	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCrOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PCrOO)	119.4943	4.108	6	119.4943	16.874	6	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCuOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PCuOO)	119.2745	2.403	55	119.2745	5.774	55	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PFe2O)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PFe2O)	118.5150	0.830	2	118.5150	0.689	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PFeCC)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PFeCC)	119.5847	1.242	3	119.5847	1.544	3	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PFeOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PFeOO)	119.2511	2.712	137	119.2511	7.356	137	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PIOO)	119.3548	1.449	6	118.6933	3.344	12	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PIOO)	118.0318	2.051	6	118.6933	3.344	12	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PIrOO)	119.0252	2.066	32	119.0252	4.270	32	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PMnOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PMnOO)	119.2568	5.100	6	119.2568	26.011	6	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PMoOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PMoOO)	119.2852	2.737	53	119.2852	7.489	53	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PNNO)	119.3418	2.259	6	119.2740	3.588	24	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PNNO)	119.2514	1.831	18	119.2740	3.588	24	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNNS)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PNNS)	116.8640	0.000	1	116.8640	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PNOO)	119.3425	3.485	2	119.0465	5.155	208	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(PNOO)	119.3204	3.387	12	119.0465	5.155	208	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PNOO)	119.0265	2.192	194	119.0465	5.155	208	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNOS)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PNOS)	118.9404	1.840	28	118.9404	3.386	28	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PN[6]NO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PN[6]NO)	119.1205	2.183	10	119.1205	4.765	10	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PN[6]OO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PN[6]OO)	119.0381	0.694	8	119.0381	0.481	8	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	119.8183	4.801	4	119.7159	15.665	16	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(PNiCC)	119.8235	4.300	4	119.7159	15.665	16	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PNiCC)	119.4688	3.977	4	119.7159	15.665	16	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PNiCC)	119.7532	4.567	4	119.7159	15.665	16	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PO3)	117.1050	3.183	2	119.1218	8.035	114	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PO3)	119.7605	4.228	2	119.1218	8.035	114	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(PO3)	119.3764	3.209	30	119.1218	8.035	114	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(PO3)	118.8310	5.354	2	119.1218	8.035	114	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PO3)	119.0666	2.651	78	119.1218	8.035	114	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POOS)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(POOS)	119.6832	3.311	6	119.2445	5.742	17	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POOS)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(POOS)	118.9063	3.549	3	119.2445	5.742	17	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POOS)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(POOS)	119.0424	1.198	8	119.2445	5.742	17	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POOW)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(POOW)	118.8588	0.967	6	118.8588	0.935	6	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POSS)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(POSS)	119.6806	3.441	8	119.2751	8.421	16	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(POSS)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(POSS)	118.8695	2.414	8	119.2751	8.421	16	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PPdOO)	119.3193	2.568	55	119.3193	6.596	55	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPtOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PPtOO)	119.0120	4.380	4	119.0120	19.183	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PReOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PReOO)	118.9415	3.181	6	118.9415	10.118	6	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRhCC)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PRhCC)	119.6560	2.705	2	119.6560	7.319	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PRhOO)	119.1900	3.161	117	119.1900	9.993	117	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PRuOO)	119.1817	3.667	6	119.1345	7.165	82	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(PRuOO)	119.3268	1.844	12	119.1345	7.165	82	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<6>}	O(C[6a]C[6a]2)(PRuOO)	118.9190	2.842	6	119.1345	7.165	82	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PRuOO)	119.0866	2.811	46	119.1345	7.165	82	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PRuOO)	119.2098	2.678	12	119.1345	7.165	82	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PSeOO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(PSeOO)	119.3157	0.383	6	119.3157	0.147	6	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]2)(PNNS)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PNNS)	121.9370	0.000	1	121.9370	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PC[6a]2Fe)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Fe)	117.9820	0.461	2	117.9820	0.213	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2O)	119.9475	0.904	2	119.9475	0.818	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PFeCC)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PFeCC)	118.8717	1.081	3	118.8717	1.168	3	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PRhCC)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PRhCC)	119.2780	2.994	2	119.2780	8.963	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Ir<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	118.8932	0.283	4	118.8932	0.080	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Ir)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Ir)	116.3672	0.660	5	116.3672	0.436	5	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]IrO)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]IrO)	116.8370	0.107	2	116.8370	0.012	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	120.9193	0.343	4	118.8943	1.757	58	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	120.9420	0.438	2	118.8943	1.757	58	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	120.7045	0.197	2	118.8943	1.757	58	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	117.5987	0.558	3	118.8943	1.757	58	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	117.3540	0.000	1	118.8943	1.757	58	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	118.6525	0.786	18	118.8943	1.757	58	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	118.6754	0.361	8	118.8943	1.757	58	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	118.9308	0.590	12	118.8943	1.757	58	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<7>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	119.3665	0.333	2	118.8943	1.757	58	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	116.2302	0.813	4	118.8943	1.757	58	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	121.1860	0.000	1	118.8943	1.757	58	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	121.5940	0.000	1	118.8943	1.757	58	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrOO)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrOO)	116.9564	0.102	5	116.9564	0.010	5	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Ir<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	118.0160	0.314	2	118.0160	0.099	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	114.2780	0.000	1	116.8983	5.530	3	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OP){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Ir<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	118.2085	0.872	2	116.8983	5.530	3	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(PC[6a]2O)	122.4510	0.000	1	122.4510	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	118.8100	0.234	6	118.8100	0.055	6	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	117.1840	0.000	1	118.8799	0.358	17	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	119.3800	0.632	4	118.8799	0.358	17	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	118.8546	0.243	12	118.8799	0.358	17	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	116.8540	0.000	1	116.8540	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	116.8420	0.000	1	117.4030	1.051	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	118.2600	0.202	2	117.4030	1.051	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	116.2500	0.000	1	117.4030	1.051	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Ni)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Ni)	119.2208	0.255	23	119.2208	0.065	23	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]NiC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]NiC)	118.6440	0.160	2	118.6440	0.026	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	119.4771	2.378	17	119.1007	1.482	110	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	121.4053	0.277	3	119.1007	1.482	110	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	119.0006	0.435	79	119.1007	1.482	110	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<4>,2|C<3>}	O(C[6a]C[6a]2)(PNiCC)	118.8840	0.400	2	119.1007	1.482	110	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	118.3080	0.082	2	119.1007	1.482	110	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	117.2658	0.696	5	119.1007	1.482	110	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	121.8780	0.000	1	119.1007	1.482	110	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	122.1060	0.000	1	119.1007	1.482	110	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PC[6a]2Ni)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Ni)	118.3195	0.390	4	118.3195	0.152	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	118.4451	0.890	19	118.4451	0.792	19	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Pd)	117.7900	0.000	1	117.7900	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdCC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PPdCC)	118.4162	0.621	4	118.4162	0.386	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Pd)	118.2255	0.202	2	118.2255	0.041	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdCC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PPdCC)	117.9863	0.234	6	117.9863	0.055	6	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[5]2Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[5]2Pd)	118.6410	0.000	1	118.6410	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6]2Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6]2Pd)	118.6715	0.578	2	118.6715	0.334	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Pd)	120.2985	0.374	2	120.1281	2.476	15	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Pd)	119.5121	2.035	7	120.1281	2.476	15	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Pd)	120.7900	0.931	6	120.1281	2.476	15	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2S)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2S)	112.2210	0.942	4	112.2210	0.888	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PN[6]2Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PN[6]2Pd)	118.7460	0.146	2	118.7460	0.021	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdCC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PPdCC)	120.4563	0.581	3	119.4159	1.457	37	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdCC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PPdCC)	118.7123	0.465	26	119.4159	1.457	37	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdCC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PPdCC)	121.3126	0.461	8	119.4159	1.457	37	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdNN)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PPdNN)	120.2185	0.025	2	120.0478	0.119	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdNN)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PPdNN)	119.8770	0.489	2	120.0478	0.119	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PPdOO)	118.3885	0.371	2	117.2745	1.726	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PPdOO)	115.9660	0.000	1	117.2745	1.726	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PPdOO)	116.3550	0.000	1	117.2745	1.726	4	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2S)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2S)	112.0155	0.897	2	112.0155	0.805	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPtCC)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PPtCC)	120.2450	0.000	1	120.2450	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PPtOO)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PPtOO)	118.0450	0.000	1	118.0450	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Re)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PReCC)	C[6a](C[6a]C[6a]Re)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Re<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PReCC)	117.6218	0.159	4	117.5803	0.022	6	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Re)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PReCC)	C[6a](C[6a]C[6a]Re)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Re<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PReCC)	117.4975	0.118	2	117.5803	0.022	6	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRhCC)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Rh<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PRhCC)	118.5859	0.468	7	118.5657	0.142	23	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRhCC)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Rh<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PRhCC)	118.5568	0.348	16	118.5657	0.142	23	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Rh<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PRhOO)	119.2750	0.619	2	118.7732	0.232	12	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Rh<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PRhOO)	118.5525	0.363	8	118.7732	0.232	12	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Rh<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PRhOO)	119.1540	0.243	2	118.7732	0.232	12	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PRuCC)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ru<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PRuCC)	118.4015	0.021	2	118.4015	0.000	2	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2Ru)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Ru)	121.0960	0.000	1	121.0960	0.000	1	118.9552	5.562	2040	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[4]N[4]2S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(P[4]N[4]2S)	122.9220	0.437	2	122.9220	0.191	2	120.2358	6.403	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-4:	C[6a](C[6a]C[6a]H)2(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[4]N[4]2S)	C[6a](C[6a]C[6a]H)2(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(P[4]N[4]2S)	118.8928	1.842	4	118.8928	3.393	4	120.2358	6.403	6	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	116.9750	0.916	3	116.9750	0.838	3	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(P[6]O[6]2O)	122.7580	0.402	2	122.7580	0.161	2	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP[6]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	117.7784	0.501	32	117.7784	0.251	32	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	117.4180	0.383	2	117.4180	0.147	2	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(P[6]O[6]2O)	121.7505	2.556	2	121.7505	6.534	2	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OP[6]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	120.3901	2.181	14	120.3901	4.758	14	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	116.6290	0.000	1	119.0120	2.244	33	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	119.5625	2.272	8	119.0120	2.244	33	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	118.9278	1.091	24	119.0120	2.244	33	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	121.1770	0.000	1	119.3062	5.757	207	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	119.1345	4.048	2	119.3062	5.757	207	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	119.5565	1.648	8	119.3062	5.757	207	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	119.2572	2.196	80	119.3062	5.757	207	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	119.2668	2.921	6	119.3062	5.757	207	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	119.2835	2.869	52	119.3062	5.757	207	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	119.2694	2.256	50	119.3062	5.757	207	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	119.7613	2.716	8	119.3062	5.757	207	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[6]O[6]2O)	118.0855	0.986	2	118.7231	0.918	8	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[6]O[6]2O)	118.9357	0.935	6	118.7231	0.918	8	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(P[6]O[6]2S)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(P[6]O[6]2S)	119.7180	2.291	2	119.7180	5.249	2	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	120.2982	5.383	4	120.2982	28.982	4	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[6]O[6]2O)	120.2590	0.680	2	120.2590	0.463	2	119.1764	5.135	311	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SCOO)	117.7665	1.706	2	117.7665	2.911	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SNOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SNOO)	116.1160	0.352	2	116.1160	0.124	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(OS){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(SCOO)	117.2280	0.000	1	117.2280	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SCOO)	116.8650	0.000	1	116.8495	0.000	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(SCOO)	116.8340	0.000	1	116.8495	0.000	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(SCOO)	119.4210	0.000	1	119.4210	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SCOO)	120.4860	0.000	1	120.4860	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|I<1>,1|O<2>}	O(C[6a]C[6a]2)(SCOO)	119.9540	0.000	1	119.9540	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(SCOO)	120.9650	0.000	1	120.9650	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.9630	0.000	1	117.4640	1.768	3	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.2145	1.778	2	117.4640	1.768	3	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OS){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(SCOO)	117.3327	0.590	3	117.3327	0.348	3	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OS){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.4330	1.085	2	118.4330	1.177	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(SCOO)	116.6570	0.000	1	116.6570	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a]2)(SCOO)	118.0200	0.000	1	118.0200	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.5900	1.975	5	118.1464	1.465	17	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.9615	0.765	12	118.1464	1.465	17	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SNOO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SNOO)	116.6895	2.524	4	116.6895	6.369	4	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SCOO)	118.2750	0.000	1	119.4977	3.486	11	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SCOO)	119.6200	1.921	10	119.4977	3.486	11	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	121.2220	0.000	1	119.9755	3.108	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.7290	0.000	1	119.9755	3.108	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SNOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(SNOO)	120.1310	0.000	1	120.1310	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SCOO)	118.5390	0.000	1	119.3747	2.350	3	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(SCOO)	119.7925	1.911	2	119.3747	2.350	3	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.6300	0.000	1	118.6300	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(SCOO)	120.2064	0.635	5	120.2064	0.404	5	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.9545	0.199	2	119.1058	1.104	10	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.0630	0.000	1	119.1058	1.104	10	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.4320	0.000	1	119.1058	1.104	10	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.9423	1.191	6	119.1058	1.104	10	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SCOO)	120.7580	0.000	1	120.7580	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.5700	0.567	2	120.5700	0.322	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.8263	0.927	3	119.8263	0.859	3	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SNOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SNOO)	115.1440	0.000	1	115.1440	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(SCOO)	120.0800	0.000	1	120.0800	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.8080	0.305	2	120.7584	0.169	5	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.7253	0.536	3	120.7584	0.169	5	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SCOO)	118.4705	0.199	2	118.4663	0.020	3	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(SCOO)	118.4580	0.000	1	118.4663	0.020	3	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.3840	0.000	1	119.9096	1.692	10	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.2580	0.794	3	119.9096	1.692	10	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.1530	2.670	2	119.9096	1.692	10	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.1580	1.287	4	119.9096	1.692	10	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.0060	0.000	1	118.0060	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SCOO)	119.5060	0.000	1	119.5060	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.9202	0.994	5	119.9202	0.989	5	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(SCOO)	121.9020	0.000	1	121.9020	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	122.6505	2.562	4	120.8402	2.449	20	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.7825	0.579	4	120.8402	2.449	20	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.4087	0.911	3	120.8402	2.449	20	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.2051	0.926	9	120.8402	2.449	20	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.1145	1.023	2	119.1145	1.047	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OS){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(SCOO)	119.9485	0.108	2	119.9485	0.012	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OS){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(SCOO)	120.2892	1.256	4	120.2892	1.576	4	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(SCOO)	117.7292	1.655	6	117.7292	2.738	6	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)2(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(SO3)	116.7730	0.000	1	116.7730	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.0395	4.405	2	118.8174	3.750	7	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.2090	1.213	2	118.8174	3.750	7	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.0750	0.543	3	118.8174	3.750	7	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(SO3)	115.9740	0.000	1	115.9740	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.3260	0.000	1	120.3260	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SCOO)	117.5430	0.000	1	118.6071	4.465	22	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SCOO)	119.8550	0.000	1	118.6071	4.465	22	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(SCOO)	118.3350	1.249	2	118.6071	4.465	22	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SCOO)	118.1225	1.653	2	118.6071	4.465	22	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SCOO)	118.6785	6.664	2	118.6071	4.465	22	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(SCOO)	118.6470	0.638	2	118.6071	4.465	22	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SCOO)	118.3225	1.870	6	118.6071	4.465	22	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SCOO)	119.0763	2.099	6	118.6071	4.465	22	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.9440	0.000	1	118.7609	2.627	106	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.3530	0.000	1	118.7609	2.627	106	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.4477	0.306	3	118.7609	2.627	106	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.0918	0.732	4	118.7609	2.627	106	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	116.7403	0.620	3	118.7609	2.627	106	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.5630	0.000	1	118.7609	2.627	106	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.0510	0.061	2	118.7609	2.627	106	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.0509	1.646	22	118.7609	2.627	106	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.7795	2.175	14	118.7609	2.627	106	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.9096	1.252	12	118.7609	2.627	106	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.6822	0.786	10	118.7609	2.627	106	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.5037	0.956	4	118.7609	2.627	106	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.8364	2.098	26	118.7609	2.627	106	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.4093	0.539	3	118.7609	2.627	106	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SNOO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SNOO)	119.0760	6.774	2	119.0760	45.888	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SO3)	118.8323	1.677	14	118.8609	2.625	15	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)2(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SO3)	119.2620	0.000	1	118.8609	2.625	15	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SCOO)	119.5900	0.000	1	118.4200	2.738	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SCOO)	117.2500	0.000	1	118.4200	2.738	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.1070	0.000	1	118.8158	1.093	9	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.9013	0.808	3	118.8158	1.093	9	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.0367	0.488	3	118.8158	1.093	9	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.2105	1.773	2	118.8158	1.093	9	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	116.4840	0.000	1	116.4840	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SCOO)	118.3487	1.225	6	118.3487	1.500	6	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.8065	3.604	2	118.8141	3.322	14	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.5423	0.587	3	118.8141	3.322	14	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.9270	0.000	1	118.8141	3.322	14	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.4038	1.565	8	118.8141	3.322	14	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SO3)	120.7900	0.000	1	119.9710	1.004	3	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(OS)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)2(OS){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SO3)	119.5615	1.001	2	119.9710	1.004	3	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.5970	0.000	1	119.5970	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OS){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(SCOO)	117.8650	0.000	1	117.8650	0.000	1	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(SCOO)	118.3605	1.320	2	118.7785	6.496	4	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<4>,2|C<3>}	O(C[6a]C[6a]2)(SCOO)	119.1965	4.129	2	118.7785	6.496	4	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.3280	0.533	2	119.3280	0.284	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SFOO)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(SFOO)	119.4730	0.206	2	119.4730	0.043	2	118.9521	3.077	343	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OSi){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SiC3)	117.5400	1.166	3	117.5400	1.360	3	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC[6a]2C)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OSi){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SiC[6a]2C)	122.9445	0.383	2	122.9445	0.146	2	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OSi){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiC3)	121.8635	0.361	2	121.8635	0.131	2	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC[6a]2C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(SiC[6a]2C)	120.7700	0.000	1	120.7700	0.000	1	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC[6a]CC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(SiC[6a]CC)	121.5700	0.000	1	121.5700	0.000	1	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OSi){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SiC3)	120.5060	0.000	1	120.5060	0.000	1	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(SiC3)	123.2850	0.000	1	123.2850	0.000	1	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC[6a]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(SiC[6a]2O)	121.4015	0.878	2	121.4015	0.770	2	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SiC3)	122.2260	0.000	1	122.2260	0.000	1	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiC3)	120.6331	1.531	8	120.7507	2.174	9	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(SiC3)	121.6910	0.000	1	120.7507	2.174	9	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]2)(SiClCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SiClCO)	117.2800	0.000	1	117.2800	0.000	1	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(SiC3)	122.9380	0.000	1	123.2012	0.255	5	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SiC3)	123.2670	0.558	4	123.2012	0.255	5	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(SiCCO)	122.3363	1.223	3	122.3363	1.496	3	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC[6a]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SiC[6a]2O)	121.8915	0.284	2	121.8915	0.080	2	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiClCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(SiClCO)	121.1710	0.000	1	121.1710	0.000	1	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiClOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SiClOO)	120.3057	0.282	3	120.3057	0.080	3	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiSiOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SiSiOO)	120.1436	0.356	9	120.1436	0.127	9	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(SiC3)	123.1135	0.982	2	123.1135	0.965	2	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(SiC3)	119.3360	0.000	1	119.3360	0.000	1	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(SiC3)	120.8010	0.000	1	120.8010	0.000	1	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<3>}	O(C[6a]C[6a]2)(SiC3)	118.7950	0.000	1	118.7950	0.000	1	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(OSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(OSi){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SiC3)	120.2377	2.212	6	120.2377	4.891	6	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(OSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC[6a]2C)	C[6a](C[6a]C[6a]H)2(OSi){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiC[6a]2C)	121.9150	0.000	1	121.9150	0.000	1	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SiC3)	120.1631	2.042	16	120.1438	3.551	22	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SiC3)	120.0923	1.548	6	120.1438	3.551	22	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]H)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SiCCO)	119.6670	2.995	4	119.6670	8.968	4	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiC[6a]2C)	C[6a](C[6a]C[6a]H)2(OSi){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiC[6a]2C)	117.3680	0.000	1	117.3680	0.000	1	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiFeCC)	C[6a](C[6a]C[6a]H)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiFeCC)	120.5625	4.786	2	120.5625	22.910	2	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(SiO3)	C[6a](C[6a]C[6a]H)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SiO3)	119.6130	0.655	2	119.6130	0.429	2	120.6184	3.724	90	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(I){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.9275	2.553	8	116.9275	6.518	8	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.2220	0.000	1	120.2220	0.000	1	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.3183	0.375	4	120.3183	0.140	4	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.7455	0.754	2	120.8909	0.433	12	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	121.1200	0.341	10	120.8909	0.433	12	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(I){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.4790	0.000	1	119.4790	0.000	1	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(I){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	118.4780	0.000	1	118.4780	0.000	1	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.4750	0.000	1	121.4750	0.000	1	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]O)2(I)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(I){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CHHO)	118.9235	0.549	11	118.9235	0.301	11	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|B<3>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.4440	0.000	1	117.4440	0.000	1	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9390	0.000	1	115.8170	0.030	2	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6950	0.000	1	115.8170	0.030	2	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	116.6965	0.585	2	116.7912	0.229	4	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.2790	0.000	1	116.7912	0.229	4	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.4930	0.000	1	116.7912	0.229	4	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	121.1423	2.680	4	121.1423	7.184	4	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.7410	0.000	1	117.0079	0.283	7	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.7580	0.000	1	117.0079	0.283	7	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	117.0477	0.631	3	117.0079	0.283	7	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.7065	0.342	2	117.0079	0.283	7	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	115.8460	0.000	1	115.8460	0.000	1	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(I){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3800	0.000	1	116.3800	0.000	1	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(I){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.0597	0.131	3	117.0597	0.017	3	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]O)2(I)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(I){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.1448	0.319	4	114.8466	0.420	8	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]O)2(I)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(I){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	114.5485	0.801	4	114.8466	0.420	8	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]O)2(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(I){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.9010	0.000	1	117.0385	0.038	2	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]O)2(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(I){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.1760	0.000	1	117.0385	0.038	2	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(I){1|I<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.7460	0.000	1	120.7460	0.000	1	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.0160	0.000	1	121.0160	0.000	1	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	121.3570	0.352	2	121.3570	0.124	2	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]I)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]I)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|I<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	120.2295	1.121	2	120.2295	1.256	2	118.4135	5.599	78	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OP)	C[6a](C[6a]C[6a]O)2(I)	O(C[6a]C[6a]2)(PC[6a]2S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(I){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2S)	116.2330	0.000	1	116.2330	0.000	1	116.2330	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|C<4>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.1840	0.000	1	118.9865	0.391	4	119.0968	0.354	5	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|N<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.4715	0.172	2	118.9865	0.391	4	119.0968	0.354	5	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|C<4>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.8190	0.000	1	118.9865	0.391	4	119.0968	0.354	5	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.5380	0.000	1	119.5380	0.000	1	119.0968	0.354	5	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	111.9490	0.000	1	111.9490	0.000	1	114.7369	10.691	8	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	112.5503	0.291	4	112.5503	0.085	4	114.7369	10.691	8	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	O(C[6a]C[6a]2)(CCHO)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(CCHO)	117.9550	0.991	2	117.9550	0.983	2	114.7369	10.691	8	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.8350	0.000	1	119.8350	0.000	1	114.7369	10.691	8	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	116.7065	0.163	2	116.7065	0.027	2	116.7065	0.027	2	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	127.9800	0.000	1	127.9800	0.000	1	127.9800	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	N[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]N[5a,6a]C[6a])(CH3)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]N[5a,6a]C[6a])(CH3)	127.1220	0.000	1	128.5753	1.530	4	128.2692	1.616	5	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	N[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]N[5a,6a]C[6a])(CH3)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	O(C[6a]N[5a,6a]C[6a])(CH3)	128.5170	0.092	2	128.5753	1.530	4	128.2692	1.616	5	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	N[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]N[5a,6a]C[6a])(CH3)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]N[5a,6a]C[6a])(CH3)	130.1450	0.000	1	128.5753	1.530	4	128.2692	1.616	5	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	N[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]N[5a,6a]C[6a])(CH3)	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(OC){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	O(C[6a]N[5a,6a]C[6a])(CH3)	127.0450	0.000	1	127.0450	0.000	1	128.2692	1.616	5	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	N[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)	122.0040	0.000	1	122.0040	0.000	1	122.0040	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	N[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](N[6a]C[6a]Ru)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(PRuCC)	C[6a](N[6a]C[6a]Ru)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Ru<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(PRuCC)	117.3160	0.000	1	117.3160	0.000	1	117.3160	0.000	1	121.2926	17.893	43203	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:5:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si[4]-5:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[4])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]C[6a])(Si[4]N[4]2FF)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[4]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(Si[4]N[4]2FF)	122.3020	0.000	1	122.3020	0.000	1	122.3020	0.000	1	119.6421	10.217	18	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-5:	C[6a](C[6a]C[6a]H)2(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(BBaO3)	C[6a](C[6a]C[6a]H)2(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(BBaO3)	121.2436	3.821	7	121.2436	14.600	7	121.2436	14.600	7	119.6421	10.217	18	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-5:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PIrOSS)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]2)(PIrOSS)	115.8215	3.632	2	115.8215	13.194	2	118.2550	4.646	10	119.6421	10.217	18	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-5:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]NiSS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PC[6a]NiSS)	119.3150	0.000	1	119.3150	0.000	1	118.2550	4.646	10	119.6421	10.217	18	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-5:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCuO3)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(PCuO3)	119.4555	0.620	2	119.4555	0.385	2	118.2550	4.646	10	119.6421	10.217	18	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-5:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PNiOSS)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PNiOSS)	119.1488	1.223	4	119.1488	1.495	4	118.2550	4.646	10	119.6421	10.217	18	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-5:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PC[6a]2PdO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]2PdO)	116.0860	0.000	1	116.0860	0.000	1	118.2550	4.646	10	119.6421	10.217	18	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:6:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Nb-6:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ONb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(NbF5)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ONb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(NbF5)	119.8980	0.000	1	119.8980	0.000	1	119.8980	0.000	1	119.2338	20.893	9	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	3:6:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-6:	C[6a](C[6a]C[6a]H)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]2)(PCe2O3)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PCe2O3)	119.1508	4.879	8	119.1508	23.807	8	119.1508	23.807	8	119.2338	20.893	9	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Ga[5]-4:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(Ga[5]N[5,6a]N[5,6]O)(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(Ga[5]N[5,6a]N[5,6]O)(C[6a]C[6a,6a]C[6a])	124.1030	0.000	1	124.1030	0.000	1	124.1030	0.000	1	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	123.8420	0.000	1	123.8420	0.000	1	123.8420	0.000	1	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(OC[6])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|N<2>,2|C<3>,2|C<4>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	120.7705	2.334	2	120.7705	5.448	2	120.7705	5.448	2	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[5,6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	O(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[5,6]){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)	122.3660	0.000	1	122.3660	0.000	1	122.3660	0.000	1	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OB[3x6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OB[3x6]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.3097	0.597	3	120.3097	0.357	3	120.3097	0.357	3	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC[6]){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(O){2|O<2>,3|C<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	118.1928	0.470	10	118.1928	0.221	10	118.1928	0.221	10	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]Br)2(OB[3x6])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(OB[3x6]){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.5722	0.842	4	120.5722	0.709	4	120.5722	0.709	4	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	121.3910	0.017	2	121.3910	0.000	2	121.0645	0.262	4	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(OB[3x6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(OB[3x6]){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.7380	0.598	2	120.7380	0.358	2	121.0645	0.262	4	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6]-4:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6,6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	O(C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6,6]){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]2)	120.2260	0.000	1	120.2260	0.000	1	120.2260	0.000	1	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(OC[6])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	119.5225	2.180	2	119.5225	4.752	2	117.4232	4.048	6	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	116.0767	0.777	3	116.3735	0.755	4	117.4232	4.048	6	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	117.2640	0.000	1	116.3735	0.755	4	117.4232	4.048	6	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	119.1460	0.000	1	119.1460	0.000	1	119.1460	0.000	1	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(F){1|C<3>,2|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	121.0830	0.000	1	121.0830	0.000	1	121.4959	0.411	9	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]F)2(OB[3x6])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(OB[3x6]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|F<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	121.5475	0.665	8	121.5475	0.442	8	121.4959	0.411	9	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(OC[5])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(OC[5]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,1|F<1>,1|N<2>}	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	115.6730	0.191	2	115.6730	0.036	2	115.6730	0.036	2	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F)	O(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(F){1|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	114.1720	0.000	1	114.1720	0.000	1	114.1720	0.000	1	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[3x6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[3x6]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	119.2085	0.155	4	119.2085	0.024	4	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OB[3x6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OB[3x6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	119.5887	0.653	3	119.5887	0.427	3	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	119.5975	0.210	2	119.5975	0.044	2	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	121.4840	0.000	1	121.4840	0.000	1	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.7220	0.000	1	120.7220	0.000	1	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	122.0690	0.000	1	122.0690	0.000	1	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OB[3x6]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	121.4530	0.000	1	121.4530	0.000	1	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	117.8970	0.000	1	117.8970	0.000	1	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	118.0260	0.000	1	118.0260	0.000	1	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	121.9180	0.000	1	120.2353	6.053	48	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	119.5445	3.734	2	120.2353	6.053	48	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.2738	1.217	4	120.2353	6.053	48	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.2830	6.439	2	120.2353	6.053	48	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.3688	2.406	8	120.2353	6.053	48	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	119.9105	0.303	2	120.2353	6.053	48	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	119.9255	0.172	2	120.2353	6.053	48	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.0613	2.406	4	120.2353	6.053	48	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.2927	2.476	8	120.2353	6.053	48	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.0949	2.832	10	120.2353	6.053	48	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	119.9095	0.578	2	120.2353	6.053	48	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.2635	6.536	2	120.2353	6.053	48	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	122.1240	0.000	1	120.2353	6.053	48	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.8325	4.024	2	120.8325	16.194	2	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[3x6])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.7455	0.086	2	120.7455	0.007	2	120.1627	4.937	67	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[5]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(B[5]C[5,6a]N[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[5]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(B[5]C[5,6a]N[5,5]O)(C[6a]C[6a]2)	117.8480	1.114	4	117.8480	1.242	4	117.7215	0.532	10	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[5]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[5]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	117.6372	0.438	6	117.6372	0.192	6	117.7215	0.532	10	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[5a]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[5a]O[5a]2C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(B[5a]O[5a]2C[6])(C[6a]C[6a]2)	116.8790	0.000	1	116.8790	0.000	1	116.8790	0.000	1	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[6]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	117.1022	1.244	4	117.1022	1.548	4	118.6309	8.941	8	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OB[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(B[6]N[5a,6]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(B[6]N[5a,6]2O)(C[6a]C[6a]2)	120.1595	3.617	4	120.1595	13.084	4	118.6309	8.941	8	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(CC[6a]N[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]N[5]H)(C[6a]C[6a]2)	118.0180	0.000	1	118.0180	0.000	1	119.9218	19.482	6	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(CC[3,4,4]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(CC[3,4,4]HH)(C[6a]C[6a]2)	122.9690	0.000	1	122.9690	0.000	1	119.9218	19.482	6	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)	124.0010	0.000	1	124.0010	0.000	1	119.9218	19.482	6	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(CC[3x4,3x6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(CC[3x4,3x6]HH)(C[6a]C[6a]2)	119.8025	6.557	2	119.8025	42.994	2	119.9218	19.482	6	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)	114.9380	0.000	1	114.9380	0.000	1	119.9218	19.482	6	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	119.7330	8.700	2	119.7883	47.782	4	119.7883	47.782	4	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	119.8435	8.224	2	119.7883	47.782	4	119.7883	47.782	4	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[4,5,5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[4,5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[4,5,5]C[4,5]2C[5,5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[4,5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[4,5,5]C[4,5]2C[5,5])(C[6a]C[6a]2)	118.0618	4.971	8	118.0618	24.713	8	118.0618	24.713	8	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[4,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[4,6]C[4,6,6]2H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[4,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[4,6]C[4,6,6]2H)(C[6a]C[6a]2)	119.7620	6.322	2	119.7620	39.962	2	119.7620	39.962	2	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[4]C[4,5]C[4]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[4]C[4,5]C[4]H)(C[6a]C[6a]2)	119.6470	7.145	2	119.6470	51.045	2	119.6701	27.258	8	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[4]C[4,5]S[4]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[4]C[4,5]S[4]S)(C[6a]C[6a]2)	119.4270	8.048	2	119.4270	64.775	2	119.6701	27.258	8	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[4]C[4,6]C[4]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[4]C[4,6]C[4]H)(C[6a]C[6a]2)	119.8032	4.993	4	119.8032	24.933	4	119.6701	27.258	8	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H)	O(C[5]C[5]O[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC[5]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	O(C[5]C[5]O[5]H)(C[6a]C[6a]2)	124.3510	0.000	1	124.3510	0.000	1	120.5505	13.102	41	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[5]C[5,6]O[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[5]C[5,6]O[5]O)(C[6a]C[6a]2)	116.0505	1.312	2	116.0505	1.721	2	120.5505	13.102	41	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	123.6465	0.374	2	123.6465	0.140	2	120.5505	13.102	41	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	123.0380	0.444	3	123.0380	0.197	3	120.5505	13.102	41	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	122.7760	0.000	1	122.7760	0.000	1	120.5505	13.102	41	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5])	C[6a](C[6a]C[6a]O)2(H)	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|N<3>}	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	122.4780	1.561	2	122.4780	2.438	2	120.5505	13.102	41	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5])	C[6a](C[6a]C[6a]O)2(H)	O(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,1|H<1>,1|O<2>}	O(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	118.6830	0.000	1	118.6830	0.000	1	120.5505	13.102	41	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[5])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[5]){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>}	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	127.2460	0.000	1	127.2460	0.000	1	120.5505	13.102	41	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	119.7650	5.538	2	119.7650	30.670	2	120.5505	13.102	41	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	119.7629	2.632	14	119.7629	6.926	14	120.5505	13.102	41	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	120.4100	5.988	4	120.1063	28.060	8	120.5505	13.102	41	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	119.8025	5.419	4	120.1063	28.060	8	120.5505	13.102	41	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	119.8990	1.066	2	119.8990	1.137	2	120.5505	13.102	41	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	119.5950	5.794	2	119.5950	33.571	2	120.5505	13.102	41	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6,6]C[3x6]2H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6,6]C[3x6]2H)(C[6a]C[6a]2)	119.9700	6.264	2	119.9700	39.232	2	120.0473	32.935	6	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)	120.0860	6.466	4	120.0860	41.809	4	120.0473	32.935	6	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	113.7580	0.000	1	113.7580	0.000	1	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)	123.1140	0.000	1	123.1140	0.000	1	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	121.7230	0.000	1	121.7230	0.000	1	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	122.4318	0.541	10	122.4318	0.293	10	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)	117.8680	0.000	1	117.8680	0.000	1	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	123.3804	0.882	5	123.3804	0.778	5	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]2)	114.2880	0.000	1	114.2880	0.000	1	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	114.4870	0.000	1	114.4870	0.000	1	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	124.4700	0.000	1	124.4700	0.000	1	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	124.9983	0.583	3	124.9983	0.340	3	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H)	O(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	126.8110	0.000	1	126.8110	0.000	1	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	124.0390	0.089	2	124.0390	0.008	2	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	124.3515	0.633	2	123.9927	0.587	3	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	123.2750	0.000	1	123.9927	0.587	3	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	122.8250	0.000	1	120.9163	19.938	3	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	119.9620	5.866	2	120.9163	19.938	3	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	116.6470	0.000	1	119.6623	20.173	81	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	119.6280	5.883	2	119.6623	20.173	81	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	119.2175	7.464	2	119.6623	20.173	81	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	119.7748	4.742	26	119.6623	20.173	81	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	119.9911	4.572	18	119.6623	20.173	81	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	119.7708	5.486	6	119.6623	20.173	81	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	119.4991	4.196	24	119.6623	20.173	81	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	118.8580	6.066	2	119.6623	20.173	81	120.4190	18.510	115	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Ge[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(Ge[6]Ge[6]O[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(Ge[6]Ge[6]O[6]2)(C[6a]C[6a]2)	118.5200	0.000	1	118.5200	0.000	1	119.5540	0.531	4	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Ge[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(Ge[6]Ge[6]O[6]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(Ge[6]Ge[6]O[6]N)(C[6a]C[6a]2)	119.5770	0.000	1	119.5770	0.000	1	119.5540	0.531	4	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Ge[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(Ge[6]Ge[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|C<4>}	O(Ge[6]Ge[6]O[6]O)(C[6a]C[6a]2)	120.0595	0.112	2	120.0595	0.013	2	119.5540	0.531	4	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P-4:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(PC[6a]C[6]Pd)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(PC[6a]C[6]Pd)(C[6a]C[6a]2)	118.9070	0.000	1	118.9070	0.000	1	118.9070	0.000	1	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[4]N[4]2Cu)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(P[4]N[4]2Cu)(C[6a]C[6a]2)	122.0700	0.066	2	122.0700	0.004	2	119.0053	17.591	20	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[4]N[4]2Pd)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(P[4]N[4]2Pd)(C[6a]C[6a]2)	120.7750	0.000	1	120.7750	0.000	1	119.0053	17.591	20	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[4]N[4]2Rh)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(P[4]N[4]2Rh)(C[6a]C[6a]2)	124.3100	0.000	1	124.3100	0.000	1	119.0053	17.591	20	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	C[6a](C[6a]C[6a]O)2(H)	O(P[4]N[4]2Pd)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|O<2>}	O(P[4]N[4]2Pd)(C[6a]C[6a]2)	111.0240	0.257	2	111.0240	0.066	2	119.0053	17.591	20	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[4]N[4]2Rh)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(P[4]N[4]2Rh)(C[6a]C[6a]2)	116.4545	1.081	2	116.4545	1.169	2	119.0053	17.591	20	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[4]N[4]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	O(P[4]N[4]2Se)(C[6a]C[6a]2)	122.6950	0.652	2	122.6950	0.425	2	119.0053	17.591	20	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[4]N[4]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[4]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(P[4]N[4]2Se)(C[6a]C[6a]2)	120.3415	6.318	2	119.4370	13.679	6	119.0053	17.591	20	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[4]N[4]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(P[4]N[4]2Se)(C[6a]C[6a]2)	118.9848	2.945	4	119.4370	13.679	6	119.0053	17.591	20	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OP[4])	C[6a](C[6a]C[6a]O)2(H)	O(P[4]N[4]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[4]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(P[4]N[4]2Se)(C[6a]C[6a]2)	117.4920	6.330	2	117.4920	40.069	2	119.0053	17.591	20	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[4]N[4]2Pd)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP[4]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(P[4]N[4]2Pd)(C[6a]C[6a]2)	119.4640	0.533	2	119.4640	0.284	2	119.0053	17.591	20	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[5]N[5,5]O[5]Ni)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OP[5]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	O(P[5]N[5,5]O[5]Ni)(C[6a]C[6a]2)	122.1860	0.000	1	122.1860	0.000	1	119.9745	1.527	10	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[5]N[5,5]O[5]Pd)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP[5]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(P[5]N[5,5]O[5]Pd)(C[6a]C[6a]2)	119.4925	0.783	8	119.7288	1.039	9	119.9745	1.527	10	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[5]N[5,5]O[5]Pd)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OP[5]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	O(P[5]N[5,5]O[5]Pd)(C[6a]C[6a]2)	121.6190	0.000	1	119.7288	1.039	9	119.9745	1.527	10	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[6,6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OP[6,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[6,6]C[3x6]2Pt)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(P[6,6]C[3x6]2Pt)(C[6a]C[6a]2)	119.2410	4.683	4	119.2410	21.929	4	119.2410	21.929	4	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	117.4590	0.000	1	117.4590	0.000	1	118.7126	1.991	86	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	116.5927	0.813	6	116.5927	0.661	6	118.7126	1.991	86	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[6]O[6]2Rh)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(P[6]O[6]2Rh)(C[6a]C[6a]2)	120.0720	0.035	2	120.0720	0.001	2	118.7126	1.991	86	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	119.5860	0.000	1	119.5860	0.000	1	118.7126	1.991	86	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[6]C[6]N[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(P[6]C[6]N[6]O)(C[6a]C[6a]2)	119.0723	0.542	6	119.0723	0.293	6	118.7126	1.991	86	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[6]C[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(P[6]C[6]O[6]O)(C[6a]C[6a]2)	119.0444	1.410	8	119.0444	1.987	8	118.7126	1.991	86	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[6]N[5a]N[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(P[6]N[5a]N[6]2)(C[6a]C[6a]2)	118.9308	1.408	16	118.9308	1.983	16	118.7126	1.991	86	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[6]N[6,6]2S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(P[6]N[6,6]2S)(C[6a]C[6a]2)	119.1660	1.039	2	119.1660	1.080	2	118.7126	1.991	86	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	118.9708	2.324	4	118.7104	1.856	38	118.7126	1.991	86	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	118.6798	1.257	34	118.7104	1.856	38	118.7126	1.991	86	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	118.8875	1.309	2	118.9212	2.983	6	118.7126	1.991	86	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	118.9380	2.097	4	118.9212	2.983	6	118.7126	1.991	86	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Si[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(Si[4]N[4]2Ca)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(Si[4]N[4]2Ca)(C[6a]C[6a]2)	120.2130	0.000	1	120.2130	0.000	1	119.5630	0.845	2	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Si[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(Si[4]N[4]2Sm)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(Si[4]N[4]2Sm)(C[6a]C[6a]2)	118.9130	0.000	1	118.9130	0.000	1	119.5630	0.845	2	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(Si[5]C[5]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(Si[5]C[5]2O)(C[6a]C[6a]2)	116.4080	0.581	2	116.4080	0.338	2	116.4080	0.338	2	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Si[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[6])	C[6a](C[6a]C[6a]O)2(H)	O(Si[6]C[6a]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(H){1|H<1>,2|C<3>}	O(Si[6]C[6a]N[6]O[6])(C[6a]C[6a]2)	116.2375	0.472	2	116.2375	0.222	2	116.2375	0.222	2	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	116.2910	0.878	2	116.2910	0.771	2	116.2910	0.771	2	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(O){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	116.3930	0.000	1	116.3930	0.000	1	116.3930	0.000	1	119.6645	11.010	457	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	5:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Ga[5,5]-5:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5,5])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(Ga[5,5]N[5,6]3O[5])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5,5]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(Ga[5,5]N[5,6]3O[5])(C[6a]C[6a,6a]C[6a])	123.4280	0.000	1	123.4280	0.000	1	123.4280	0.000	1	120.2851	8.600	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[4,4,5]-5:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[4,4,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[4,4,5]){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HH)(C[6a]C[6a]2)	115.2810	0.000	1	115.2810	0.000	1	120.2245	48.876	2	120.2851	8.600	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[4,4,5]-5:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[4,4,5])	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]O)(H)	O(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[4,4,5]){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HH)(C[6a]C[6a]2)	125.1680	0.000	1	125.1680	0.000	1	120.2245	48.876	2	120.2851	8.600	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[4,4]-5:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OC[4,4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[4,4]C[3x3,3x4]C[3x4]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[4,4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[4,4]C[3x3,3x4]C[3x4]HH)(C[6a]C[6a]2)	120.3610	5.815	2	120.3610	33.817	2	120.3610	33.817	2	120.2851	8.600	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Ga[5,5]-5:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OGa[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(Ga[5,5]N[5,6]2O[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OGa[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(Ga[5,5]N[5,6]2O[5]2)(C[6a]C[6a]2)	121.0180	4.088	2	120.8030	7.965	4	120.8030	7.965	4	120.2851	8.600	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Ga[5,5]-5:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OGa[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(Ga[5,5]N[5,6]2O[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OGa[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(Ga[5,5]N[5,6]2O[5]2)(C[6a]C[6a]2)	120.5880	2.645	2	120.8030	7.965	4	120.8030	7.965	4	120.2851	8.600	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OP[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)	119.9000	1.723	2	119.9000	2.967	2	119.9000	2.967	2	120.2851	8.600	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[6,6]-5:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OP[6,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(P[6,6]N[6,6]O[6]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(P[6,6]N[6,6]O[6]2O)(C[6a]C[6a]2)	119.3362	1.995	4	119.3362	3.981	4	119.3362	3.981	4	120.2851	8.600	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Si[5,5]-5:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OSi[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(Si[5,5]N[5,5]N[5,6]S[5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OSi[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(Si[5,5]N[5,5]N[5,6]S[5]C)(C[6a]C[6a]2)	119.9455	1.005	2	119.9455	1.010	2	119.9455	1.010	2	120.2851	8.600	17	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	P[5,3x6]-6:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP[5,3x6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(P[5,3x6]N[5,5a,6]2N[5a,6,6]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP[5,3x6]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(P[5,3x6]N[5,5a,6]2N[5a,6,6]2O)(C[6a]C[6a]2)	120.1030	1.004	2	120.1030	1.008	2	120.1030	1.008	2	120.4191	1.099	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	P[5,3x6]-6:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP[5,3x6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(P[5,3x6]N[5,5a,6]2N[5a,6,6]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP[5,3x6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(P[5,3x6]N[5,5a,6]2N[5a,6,6]2O)(C[6a]C[6a]2)	119.5985	1.493	2	119.5985	2.228	2	119.5985	2.228	2	120.4191	1.099	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Si[4x6]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[4x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[4x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	120.7150	0.000	1	120.7150	0.000	1	120.3709	0.080	7	120.4191	1.099	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Si[4x6]-6:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OSi[4x6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OSi[4x6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	120.3805	0.445	2	120.3805	0.198	2	120.3709	0.080	7	120.4191	1.099	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Si[4x6]-6:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OSi[4x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OSi[4x6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	120.2330	0.228	2	120.2030	0.029	3	120.3709	0.080	7	120.4191	1.099	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Si[4x6]-6:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OSi[4x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OSi[4x6]){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	120.1430	0.000	1	120.2030	0.029	3	120.3709	0.080	7	120.4191	1.099	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Si[4x6]-6:C[6a]-3:	C[6a](C[6a]C[6a]H)2(OSi[4x6])	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OSi[4x6]){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	120.5110	0.000	1	120.5110	0.000	1	120.3709	0.080	7	120.4191	1.099	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:1:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	Si[6,6]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[6,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(Si[6,6]C[6a]N[6]2O[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[6,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(Si[6,6]C[6a]N[6]2O[6]2)(C[6a]C[6a]2)	123.0300	0.000	1	123.0300	0.000	1	123.0300	0.000	1	120.4191	1.099	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]S)(SC)	O(C[6a]C[5,6,6a]C[6a])(H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]S)(OH){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]S)(SC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6,6a]C[6a])(H)	123.3090	0.000	1	123.3090	0.000	1	123.3090	0.000	1	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	122.1135	0.252	2	122.1135	0.064	2	121.9609	2.377	12	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH){2|C<3>,4|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(H)	122.4020	0.000	1	122.4020	0.000	1	121.9609	2.377	12	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH){1|C<3>,5|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	122.6070	0.000	1	122.6070	0.000	1	121.9609	2.377	12	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	122.2120	1.129	2	122.2120	1.274	2	121.9609	2.377	12	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	123.2010	0.000	1	121.3103	5.473	3	121.9609	2.377	12	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	120.3650	2.363	2	121.3103	5.473	3	121.9609	2.377	12	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC[6a]){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	124.0710	0.000	1	124.0710	0.000	1	121.9609	2.377	12	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(H)	119.3140	0.000	1	119.3140	0.000	1	121.9609	2.377	12	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(H)	122.5550	0.000	1	122.5550	0.000	1	121.9609	2.377	12	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN){1|C<4>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	124.4750	0.000	1	124.9360	0.149	5	124.8580	0.156	6	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN){5|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	125.0513	0.332	4	124.9360	0.149	5	124.8580	0.156	6	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CN)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CN){3|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	124.4680	0.000	1	124.4680	0.000	1	124.8580	0.156	6	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(H)	125.1620	1.065	2	125.1620	1.134	2	125.1620	1.134	2	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]C)(OH)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]O)(OH){1|C<3>,5|C<4>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6,6a]C[6a])(H)	117.1530	0.000	1	117.1530	0.000	1	117.1530	0.000	1	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OH){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	124.5610	0.109	2	124.5610	0.012	2	124.5610	0.012	2	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(OH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(OH){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	125.2930	0.000	1	125.2930	0.000	1	124.3060	1.948	2	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]O)(OH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]O)(OH){1|N<3>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	123.3190	0.000	1	123.3190	0.000	1	124.3060	1.948	2	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	115.6470	0.000	1	115.6470	0.000	1	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.2570	0.000	1	119.2570	0.000	1	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.7190	0.000	1	118.7190	0.000	1	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OH){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	120.0610	0.000	1	120.0610	0.000	1	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.2200	0.000	1	119.4573	0.266	7	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.2115	0.441	4	119.4573	0.266	7	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.8570	0.000	1	119.4573	0.266	7	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.2780	0.000	1	119.4573	0.266	7	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.6030	0.000	1	121.6030	0.000	1	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){2|C<3>,4|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	118.9170	0.000	1	119.2190	0.962	5	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){2|C<3>,4|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6]){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	119.2945	1.116	4	119.2190	0.962	5	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){3|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	117.5915	0.165	2	117.5915	0.027	2	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.7860	0.006	2	116.7860	0.000	2	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	115.4080	0.000	1	115.4080	0.000	1	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	118.9480	0.000	1	118.9480	0.000	1	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.8845	0.179	2	118.6436	5.026	13	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	123.2730	0.000	1	118.6436	5.026	13	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.2060	2.975	3	118.6436	5.026	13	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.2345	0.530	2	118.6436	5.026	13	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.3175	0.794	2	118.6436	5.026	13	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.8677	0.204	3	118.6436	5.026	13	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC[5])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC[5]){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	122.6300	0.000	1	122.6300	0.000	1	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.8140	0.000	1	120.0955	3.284	2	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.3770	0.000	1	120.0955	3.284	2	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.9830	0.328	2	119.4727	4.744	7	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.0750	0.000	1	119.4727	4.744	7	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.7690	0.122	2	119.4727	4.744	7	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.3270	0.000	1	119.4727	4.744	7	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	119.4030	0.000	1	119.4727	4.744	7	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	118.0870	0.000	1	118.0870	0.000	1	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	118.0280	0.000	1	118.5132	0.343	4	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	118.2780	0.000	1	118.5132	0.343	4	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	119.3630	0.000	1	118.5132	0.343	4	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.3840	0.000	1	118.5132	0.343	4	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	116.8810	0.000	1	116.8810	0.000	1	118.8695	3.341	52	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CN)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CN){1|N<3>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.8750	0.000	1	123.8750	0.000	1	123.8750	0.000	1	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]O)(OH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)(OH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]O)(OH){1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)(OH){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	114.7910	0.000	1	114.7910	0.000	1	118.1440	22.485	2	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(OH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OH){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.4970	0.000	1	121.4970	0.000	1	118.1440	22.485	2	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NN)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NN){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.7930	0.000	1	122.7930	0.000	1	122.7930	0.000	1	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(OH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.3897	0.872	3	122.3897	0.760	3	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]O[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(OH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.0620	0.000	1	122.0620	0.000	1	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OH){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.2760	0.000	1	119.2760	0.000	1	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.5680	0.000	1	117.5680	0.000	1	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	113.8710	0.000	1	113.8710	0.000	1	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(OH){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.3450	0.000	1	116.3450	0.000	1	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.9967	0.201	3	120.1788	6.170	6	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.7560	0.023	2	120.1788	6.170	6	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.5710	0.000	1	120.1788	6.170	6	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	113.4880	0.252	2	117.7612	17.375	5	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.5195	1.899	2	117.7612	17.375	5	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.7910	0.000	1	117.7612	17.375	5	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.4775	0.186	2	119.7482	0.756	27	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.5632	0.337	5	119.7482	0.756	27	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.5431	0.419	18	119.7482	0.756	27	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.3280	0.025	2	119.7482	0.756	27	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.7546	0.550	5	118.7187	0.250	6	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.5390	0.000	1	118.7187	0.250	6	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	123.2390	0.000	1	123.2390	0.000	1	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	122.3690	2.708	5	122.3690	7.336	5	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	119.1480	0.000	1	121.3375	9.588	2	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	123.5270	0.000	1	121.3375	9.588	2	119.8240	5.382	60	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]S)(SC)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]S)(SC){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.0787	2.131	3	123.0787	4.540	3	123.0787	4.540	3	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(OH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(OH){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<3>,4|C<4>}	O(C[6a]C[6a]2)(H)	119.7460	0.000	1	119.7460	0.000	1	119.7633	2.491	6	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH){1|C<3>,5|C<4>}	O(C[6a]C[6a]2)(H)	118.9550	0.000	1	118.9550	0.000	1	119.7633	2.491	6	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.7410	0.000	1	119.7410	0.000	1	119.7633	2.491	6	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	121.4195	0.491	2	121.4195	0.242	2	119.7633	2.491	6	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.2990	0.000	1	117.2990	0.000	1	119.7633	2.491	6	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Cl)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Cl)(OH){1|Cl<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN){1|Cl<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.3520	0.000	1	116.3520	0.000	1	116.3520	0.000	1	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(NN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.2610	0.000	1	121.2610	0.000	1	121.2610	0.000	1	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.1080	0.000	1	118.1080	0.000	1	118.1080	0.000	1	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]O)(OH){1|C<3>,5|C<4>}	O(C[6a]C[6a]2)(H)	114.5920	0.000	1	114.5920	0.000	1	114.5920	0.000	1	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OH)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.3030	0.000	1	116.3030	0.000	1	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	112.7240	0.018	2	112.7240	0.000	2	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.0100	0.000	1	120.0165	0.000	2	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.0230	0.000	1	120.0165	0.000	2	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(H)	121.3650	0.000	1	121.3650	0.000	1	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.2200	0.000	1	121.2200	0.000	1	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(H)	117.1870	0.000	1	116.9810	0.085	2	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.7750	0.000	1	116.9810	0.085	2	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.9540	0.000	1	120.9540	0.000	1	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.4400	2.415	2	120.4400	5.835	2	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	122.7130	0.000	1	122.7130	0.000	1	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.8450	0.000	1	119.1287	0.419	3	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.7705	0.262	2	119.1287	0.419	3	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.5430	0.769	2	117.9579	5.817	7	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	117.1440	0.000	1	117.9579	5.817	7	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(H)	115.9870	0.000	1	117.9579	5.817	7	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(H)	123.0110	0.000	1	117.9579	5.817	7	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O(C[6a]C[6a]2)(H)	118.2385	0.258	2	117.9579	5.817	7	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OH)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	115.5180	0.000	1	115.5180	0.000	1	118.3953	7.878	24	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]S)(OH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(SC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]S)(OH){1|C<3>,2|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(SC){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	O(C[6a]C[6a]2)(H)	116.8055	0.021	2	116.8055	0.000	2	116.8055	0.000	2	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.7845	0.483	6	122.7845	0.233	6	122.7845	0.233	6	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(OH)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	114.5700	1.138	3	114.5700	1.295	3	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(OH)	C[6a](C[6a,6a]C[5,6a,6a]O[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	114.1920	0.000	1	114.1920	0.000	1	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OH)	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.7980	0.000	1	116.7980	0.000	1	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OH){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.2030	0.000	1	119.2030	0.000	1	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.4480	0.000	1	117.4480	0.000	1	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.4235	0.228	2	118.1520	2.013	5	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.6685	0.431	2	118.1520	2.013	5	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.5760	0.000	1	118.1520	2.013	5	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.7455	0.016	2	120.7455	0.000	2	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[6a]){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.5730	0.000	1	117.5730	0.000	1	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.6396	2.831	5	116.6396	8.017	5	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(OH){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.9600	0.000	1	122.9600	0.000	1	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	118.7330	0.000	1	121.3703	5.220	3	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.7500	0.000	1	121.3703	5.220	3	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|S<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.6280	0.000	1	121.3703	5.220	3	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	121.9850	2.677	5	122.1025	5.816	6	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	122.6900	0.000	1	122.1025	5.816	6	118.8020	10.352	30	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SC[6a]){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.5470	2.514	4	120.5470	6.321	4	121.3368	7.860	5	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SC){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	124.4960	0.000	1	124.4960	0.000	1	121.3368	7.860	5	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SeC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SeC[6a]){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.8050	0.580	2	117.8050	0.336	2	117.8050	0.336	2	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.3890	0.000	1	117.3890	0.000	1	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.6090	0.000	1	116.7823	0.567	3	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.3690	0.331	2	116.7823	0.567	3	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.9887	1.871	3	120.3726	5.366	5	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.4485	0.315	2	120.3726	5.366	5	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.9875	0.418	2	118.2064	4.238	5	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	121.8260	0.000	1	118.2064	4.238	5	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.6155	0.073	2	118.2064	4.238	5	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|C<4>,1|P<4>}	O(C[6a]C[6a]2)(H)	123.6230	0.000	1	123.6230	0.000	1	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	120.0025	0.842	6	120.0025	0.709	6	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	120.8630	0.000	1	120.8630	0.000	1	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	117.8530	0.000	1	118.7215	1.509	2	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	119.5900	0.000	1	118.7215	1.509	2	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.9247	2.919	7	118.9247	8.520	7	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.5150	0.000	1	122.5150	0.000	1	119.2988	5.362	32	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.4750	0.000	1	120.4763	0.025	3	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.4770	0.225	2	120.4763	0.025	3	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.5680	0.000	1	121.5680	0.000	1	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.8430	0.000	1	119.8476	2.558	45	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.0885	0.190	2	119.8476	2.558	45	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.4552	0.871	9	119.8476	2.558	45	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.7561	1.783	31	119.8476	2.558	45	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.7935	0.585	2	119.8476	2.558	45	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	125.4380	0.754	2	121.2473	23.644	4	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.2960	0.000	1	121.2473	23.644	4	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.8170	0.000	1	121.2473	23.644	4	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.4160	0.000	1	120.4160	0.000	1	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	124.2320	0.000	1	122.0564	1.739	18	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.6347	1.839	4	122.0564	1.739	18	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.9023	0.634	4	122.0564	1.739	18	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.1235	0.575	6	122.0564	1.739	18	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.6410	0.000	1	122.0564	1.739	18	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.8880	0.000	1	122.0564	1.739	18	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.3660	0.000	1	122.0564	1.739	18	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NN){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(H)	124.5500	0.000	1	124.5500	0.000	1	120.5905	4.098	73	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.9720	0.000	1	116.9720	0.000	1	120.0120	18.483	2	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.0520	0.000	1	123.0520	0.000	1	120.0120	18.483	2	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OH){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	117.5565	1.786	4	117.5565	3.189	4	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.3605	0.699	2	118.3605	0.489	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.7240	0.000	1	120.2985	0.660	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.8730	0.000	1	120.2985	0.660	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.3370	0.000	1	119.3370	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.7540	2.392	4	118.1838	5.304	9	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	115.8865	0.392	2	118.1838	5.304	9	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	118.9550	2.395	3	118.1838	5.304	9	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.7700	0.000	1	119.9600	7.067	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.2340	0.802	3	119.9600	7.067	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.3280	0.000	1	119.9600	7.067	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.7230	0.000	1	120.7230	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(H)	117.7380	1.034	2	117.7380	1.069	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.9640	0.000	1	116.9640	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OH){1|S<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OC){1|N<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.7700	0.000	1	119.7700	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	114.6945	0.549	2	114.6945	0.302	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	115.5380	0.000	1	117.1376	9.320	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.6580	0.000	1	117.1376	9.320	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.1410	0.000	1	117.1376	9.320	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	114.3035	1.720	2	117.1376	9.320	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	115.6260	0.000	1	117.1376	9.320	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	120.2655	1.894	2	117.1376	9.320	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.2370	0.000	1	121.2370	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.2533	0.761	3	117.5371	2.771	19	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.3325	0.401	2	117.5371	2.771	19	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.9133	0.398	9	117.5371	2.771	19	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.4880	0.000	1	117.5371	2.771	19	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1670	0.460	3	117.5371	2.771	19	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.5700	0.000	1	117.5371	2.771	19	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.2587	0.241	4	121.2587	0.058	4	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.5980	0.000	1	117.5980	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.4359	3.382	30	119.4359	11.439	30	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	120.4340	0.000	1	120.4340	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){3|C<3>}	O(C[6a]C[6a]2)(H)	117.4317	0.329	4	117.4317	0.108	4	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[5,6])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[5,6]){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.1300	0.000	1	121.1300	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	112.4490	0.000	1	112.4490	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.4360	0.000	1	120.4360	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.3420	0.000	1	121.3420	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.2790	0.000	1	120.2790	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	115.3960	0.000	1	115.3960	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.0661	2.501	10	119.5122	6.296	12	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.4500	0.000	1	119.5122	6.296	12	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.0360	0.000	1	119.5122	6.296	12	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	124.1640	0.556	2	124.1640	0.309	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.2850	0.605	2	116.7100	0.725	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.5600	0.000	1	116.7100	0.725	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	115.7035	0.678	4	115.7035	0.459	4	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.9290	0.000	1	117.9290	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.2735	0.525	2	122.0006	2.784	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.0875	2.248	2	122.0006	2.784	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.3208	1.807	4	122.0006	2.784	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.8565	3.158	4	121.8565	9.973	4	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.9100	3.558	2	116.9100	12.661	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.4624	0.355	5	120.4624	0.126	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){3|C<3>}	O(C[6a]C[6a]2)(H)	114.7043	0.584	4	115.6897	0.804	11	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.4818	0.238	4	115.6897	0.804	11	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){3|C<3>}	O(C[6a]C[6a]2)(H)	115.9477	0.357	3	115.6897	0.804	11	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.9390	0.000	1	118.9390	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){5|C<3>}	O(C[6a]C[6a]2)(H)	116.3015	0.046	2	116.3015	0.002	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){5|C<3>}	O(C[6a]C[6a]2)(H)	115.5325	3.430	2	115.5325	11.766	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.0590	3.329	2	117.0590	11.083	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.6290	1.673	3	118.6290	2.800	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.0860	0.000	1	115.0860	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.3833	0.062	3	118.9608	6.992	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	115.6280	0.000	1	118.9608	6.992	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.9770	2.335	4	118.9608	6.992	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.3430	0.000	1	117.6664	6.029	25	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.5630	0.000	1	117.6664	6.029	25	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.5110	2.420	23	117.6664	6.029	25	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.3460	2.169	10	119.3460	4.706	10	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.2232	2.763	4	118.8248	7.536	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.2310	0.000	1	118.8248	7.536	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	119.3310	3.043	2	118.2403	8.200	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.0590	0.000	1	118.2403	8.200	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	118.8080	2.614	4	118.3096	6.366	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.3160	0.000	1	118.3096	6.366	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	118.4910	0.000	1	118.4910	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.0890	0.000	1	117.0890	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.0190	0.000	1	115.0190	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.3970	0.000	1	120.3970	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.7040	0.000	1	119.2909	2.770	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6970	0.000	1	119.2909	2.770	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.6280	0.000	1	119.2909	2.770	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.4185	0.110	2	119.2909	2.770	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.5520	0.337	2	119.2909	2.770	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.3570	0.000	1	119.2909	2.770	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.3880	0.000	1	119.3540	8.213	4	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.6760	1.354	3	119.3540	8.213	4	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	118.2160	4.760	2	118.2160	22.660	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.2570	0.000	1	120.2570	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<2>,1|C<3>}	O(C[6a]C[6a]2)(H)	120.0060	0.000	1	121.1482	2.008	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	121.3930	0.076	2	121.1482	2.008	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.4745	2.528	2	121.1482	2.008	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.5630	0.000	1	121.5630	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.3440	0.000	1	120.5533	0.556	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.1580	0.419	2	120.5533	0.556	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.4865	0.422	4	116.4865	0.178	4	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.1410	0.000	1	117.0144	2.765	41	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.4356	0.462	10	117.0144	2.765	41	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.4450	0.000	1	117.0144	2.765	41	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	117.8407	0.695	10	117.0144	2.765	41	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.2759	1.844	19	117.0144	2.765	41	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.5730	1.267	7	118.3327	2.190	260	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.6571	1.697	22	118.3327	2.190	260	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	122.9985	0.301	2	118.3327	2.190	260	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.2088	0.742	4	118.3327	2.190	260	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.0090	1.169	205	118.3327	2.190	260	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.8277	0.458	8	118.3327	2.190	260	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.9680	0.174	2	118.3327	2.190	260	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1790	0.000	1	118.3327	2.190	260	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	O(C[6a]C[6a]2)(H)	118.6860	0.641	3	118.3327	2.190	260	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.4955	0.047	2	118.3327	2.190	260	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.1435	0.298	4	118.3327	2.190	260	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.9930	2.383	3	117.4447	1.600	76	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.5510	0.000	1	117.4447	1.600	76	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.3371	1.115	72	117.4447	1.600	76	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<4>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	122.1530	0.000	1	122.1530	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.7880	0.000	1	119.0316	6.017	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.0570	0.000	1	119.0316	6.017	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.3112	0.432	5	119.0316	6.017	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.8520	0.000	1	119.0316	6.017	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	117.9906	2.671	132	117.9540	6.623	146	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.6445	1.415	13	117.9540	6.623	146	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1440	0.000	1	117.9540	6.623	146	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	120.6950	0.000	1	120.6950	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.4030	3.106	2	119.7176	3.986	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.8760	0.247	2	119.7176	3.986	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.0300	0.000	1	119.7176	3.986	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.1073	0.740	3	118.1073	0.547	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.9013	3.456	3	119.4872	5.999	6	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	O(C[6a]C[6a]2)(H)	120.4970	1.723	2	119.4872	5.999	6	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.2250	0.000	1	119.4872	5.999	6	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.7890	0.000	1	120.7890	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.7750	0.000	1	121.8473	1.974	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	122.3835	1.491	2	121.8473	1.974	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.4940	0.000	1	123.4940	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[5])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[5]){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.7000	0.000	1	122.7000	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.3020	0.000	1	117.3020	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.2545	3.425	2	118.8779	10.161	9	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	121.2330	0.000	1	118.8779	10.161	9	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.7090	0.000	1	118.8779	10.161	9	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	115.2990	0.000	1	118.8779	10.161	9	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	119.0378	3.223	4	118.8779	10.161	9	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OP)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OP){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	124.6690	0.000	1	124.6690	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.9230	0.253	2	121.9230	0.064	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.4850	0.000	1	120.4850	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	121.1040	0.000	1	121.1040	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.9080	0.000	1	117.0302	4.298	4	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.0710	0.962	3	117.0302	4.298	4	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.1930	0.000	1	117.9485	0.120	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.7040	0.000	1	117.9485	0.120	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.4940	0.000	1	117.4940	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCu)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCu){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.5973	1.651	10	119.5973	2.725	10	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	115.9017	0.729	3	118.5869	5.447	75	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	114.3950	0.000	1	118.5869	5.447	75	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.7594	2.270	71	118.5869	5.447	75	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.1470	1.178	8	119.1470	1.387	8	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OZn)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OZn){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	115.2770	0.000	1	115.2770	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|N<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.0460	0.000	1	117.0460	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[3x6])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[3x6]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.8600	0.000	1	121.8600	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.5440	0.000	1	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.8760	0.000	1	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.0500	0.000	1	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.9820	1.855	8	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.2665	0.220	2	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.1530	0.000	1	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.7270	0.000	1	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.8150	0.000	1	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.3840	0.000	1	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.2215	0.067	2	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.9668	1.981	56	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.8170	0.000	1	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.9900	0.733	3	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.1108	2.236	218	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.0170	0.000	1	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.9000	0.000	1	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.0570	2.265	54	119.9899	4.809	353	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.9820	2.569	3	120.7046	6.191	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.6320	0.000	1	120.7046	6.191	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.9450	0.000	1	120.7046	6.191	5	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.1972	2.500	10	118.5168	5.933	358	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	120.9720	0.000	1	118.5168	5.933	358	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.6291	2.459	33	118.5168	5.933	358	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.2305	2.958	2	118.5168	5.933	358	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.6917	2.741	6	118.5168	5.933	358	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.4070	0.000	1	118.5168	5.933	358	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.6420	0.000	1	118.5168	5.933	358	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.1390	2.138	33	118.5168	5.933	358	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	117.2400	0.635	2	118.5168	5.933	358	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	116.2420	0.000	1	118.5168	5.933	358	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.5671	2.451	30	118.5168	5.933	358	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.9861	2.559	119	118.5168	5.933	358	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.0335	2.311	119	118.5168	5.933	358	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.3930	0.000	1	123.0960	0.176	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.7990	0.000	1	123.0960	0.176	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.6220	0.000	1	117.7243	2.707	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.7755	0.114	2	117.7243	2.707	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	115.3735	0.900	2	115.3735	0.810	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|S<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.7770	0.000	1	116.1353	0.601	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	115.8145	0.764	2	116.1353	0.601	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.9240	0.000	1	119.8444	5.143	9	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.0040	0.000	1	119.8444	5.143	9	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.6020	3.210	2	119.8444	5.143	9	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.5410	0.000	1	119.8444	5.143	9	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.2318	2.532	4	119.8444	5.143	9	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.0611	2.484	25	117.9088	7.161	362	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.3606	2.549	62	117.9088	7.161	362	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.6377	2.518	13	117.9088	7.161	362	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.9878	2.724	262	117.9088	7.161	362	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.6705	0.650	2	121.6705	0.422	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.1983	0.828	3	116.1983	0.686	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.1870	0.242	2	116.1870	0.058	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,1|N<4>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,1|N<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	125.5850	0.645	2	125.5850	0.416	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(H)	115.5345	1.692	2	115.5345	2.863	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|S<4>}	O(C[6a]C[6a]2)(H)	117.2380	0.000	1	117.6327	6.866	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|S<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.8300	3.674	2	117.6327	6.866	3	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.6175	3.072	2	120.6175	9.440	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.5850	0.082	2	121.5850	0.007	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.1055	3.579	2	121.1055	12.807	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.8775	2.621	134	119.9272	6.716	149	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.5404	2.338	14	119.9272	6.716	149	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.0020	0.000	1	119.9272	6.716	149	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.4010	0.000	1	117.4010	0.000	1	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.8650	0.321	2	120.4554	3.942	132	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.1810	3.437	2	120.4554	3.942	132	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.0095	2.931	2	120.4554	3.942	132	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.5270	1.778	59	120.4554	3.942	132	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.3830	2.183	62	120.4554	3.942	132	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.3165	2.510	2	120.4554	3.942	132	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.8390	0.000	1	120.4554	3.942	132	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.3475	0.218	2	120.4554	3.942	132	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.5097	3.048	16	121.5097	9.291	16	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.3864	2.271	25	120.2394	7.274	362	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.1889	2.535	62	120.2394	7.274	362	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.2761	2.799	262	120.2394	7.274	362	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.4555	2.151	13	120.2394	7.274	362	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.2315	1.493	2	119.2315	2.228	2	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)2(OH)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	119.9748	2.117	6	119.9748	4.480	6	118.9973	6.701	2711	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[5])	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[5]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C)	114.6870	0.000	1	114.6870	0.000	1	114.6870	0.000	1	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]O)(SC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]S)(OH){1|C<3>,2|S<2>}	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]O)(SC){1|C<3>,1|N<3>,1|S<2>}	O(C[6a]C[6a]2)(H)	122.4505	0.295	2	122.4505	0.087	2	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SC[6a]){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1560	0.000	1	117.1560	0.000	1	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.1130	0.000	1	118.1130	0.000	1	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.2323	2.537	6	120.2323	6.436	6	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SH){1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.8900	0.000	1	119.8900	0.000	1	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(SC[6a]){4|C<3>}	O(C[6a]C[6a]2)(H)	120.0010	0.180	2	120.0010	0.032	2	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.4910	0.000	1	118.4910	0.000	1	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.7150	0.044	2	122.7150	0.002	2	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.0600	3.388	2	120.0600	11.482	2	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]S)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]S)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6]){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(H)	123.8755	0.217	2	123.8755	0.047	2	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]S)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]S)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|Br<1>,1|C<3>,1|S<2>}	O(C[6a]C[6a]2)(H)	120.4595	2.714	4	120.5964	5.390	84	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]S)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]S)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(H)	120.9048	2.221	36	120.5964	5.390	84	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]S)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]S)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	120.3436	2.146	14	120.5964	5.390	84	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]S)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]S)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|N<3>,1|S<2>}	O(C[6a]C[6a]2)(H)	120.2998	3.361	8	120.5964	5.390	84	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]S)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]S)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|S<2>,1|S<4>}	O(C[6a]C[6a]2)(H)	120.4230	2.025	18	120.5964	5.390	84	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]S)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]S)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.2157	3.541	4	120.5964	5.390	84	120.6091	5.374	104	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SeC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.5360	0.000	1	122.5360	0.000	1	122.6687	0.267	7	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.9970	0.000	1	122.6908	0.316	6	122.6687	0.267	7	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.8290	0.006	2	122.6908	0.316	6	122.6687	0.267	7	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.4967	0.817	3	122.6908	0.316	6	122.6687	0.267	7	119.1535	6.850	3154	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CN)	114.7638	0.087	5	114.6644	0.104	7	114.6644	0.104	7	114.6644	0.104	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CN)	113.9560	0.000	1	114.6644	0.104	7	114.6644	0.104	7	114.6644	0.104	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CN)	114.8760	0.000	1	114.6644	0.104	7	114.6644	0.104	7	114.6644	0.104	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5,6a]C[6a])(CCH)	125.0240	0.000	1	125.0240	0.000	1	125.0240	0.000	1	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN)	O(C[6a]C[5a,6a]C[6a])(CC[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN){5|C<3>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]C)	117.4730	0.000	1	117.4730	0.000	1	117.4730	0.000	1	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CCO)	115.4110	0.000	1	115.4110	0.000	1	115.4110	0.000	1	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	121.2690	0.085	2	121.2690	0.007	2	121.2690	0.007	2	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	119.8015	1.080	2	119.8015	1.166	2	119.8015	1.166	2	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(OC){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	119.5720	0.000	1	119.5720	0.000	1	119.5720	0.000	1	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	120.6920	0.000	1	120.6920	0.000	1	120.6920	0.000	1	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CHH)	119.4760	0.000	1	119.4760	0.000	1	118.5240	1.813	2	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC){3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CHH)	117.5720	0.000	1	117.5720	0.000	1	118.5240	1.813	2	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC[6a]){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O(C[6a]C[6a]2)2	119.0000	0.000	1	119.0000	0.000	1	119.0000	0.000	1	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CN){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O(C[6a]C[6a]2)(CCO)	120.0630	0.000	1	120.0630	0.000	1	120.0630	0.000	1	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)(OC[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)(OC[6a]){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CN){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	120.3300	0.000	1	120.3300	0.000	1	120.3300	0.000	1	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	118.4210	0.000	1	118.4210	0.000	1	118.4210	0.000	1	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	120.9550	0.793	2	120.9550	0.629	2	120.9550	0.629	2	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC){3|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CHH)	119.8200	0.000	1	119.8200	0.000	1	119.8200	0.000	1	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(SC[6a]){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	116.8220	0.000	1	116.8220	0.000	1	116.8220	0.000	1	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:S-2:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(PClO)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SC[6a]){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(PClO)	122.3535	0.067	2	122.3535	0.005	2	122.8318	0.560	6	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:S-2:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SC[6a]){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(PN[6]O)	123.0710	0.838	4	123.0710	0.702	4	122.8318	0.560	6	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	117.6310	0.280	2	117.6310	0.078	2	118.7270	4.968	8	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCH)	119.0450	5.467	2	119.0450	29.892	2	118.7270	4.968	8	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[5]O)	119.1160	0.730	4	119.1160	0.533	4	118.7270	4.968	8	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	114.9470	0.000	1	114.9470	0.000	1	116.4556	2.651	25	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	117.1817	1.513	4	116.0367	1.255	16	116.4556	2.651	25	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	115.6550	0.672	12	116.0367	1.255	16	116.4556	2.651	25	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.3800	0.000	1	119.3800	0.000	1	116.4556	2.651	25	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)2	116.9000	0.000	1	116.4170	2.114	5	116.4556	2.651	25	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.2963	1.650	4	116.4170	2.114	5	116.4556	2.651	25	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(CN)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.1955	2.773	2	119.1955	7.687	2	116.4556	2.651	25	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	120.7820	0.000	1	120.7820	0.000	1	119.6177	3.791	11	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]C)	119.0880	0.000	1	119.0880	0.000	1	119.6177	3.791	11	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	119.5348	2.683	6	119.5348	7.201	6	119.6177	3.791	11	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCH)	119.7350	0.000	1	119.7350	0.000	1	119.6177	3.791	11	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	119.4905	0.433	2	119.4905	0.188	2	119.6177	3.791	11	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.7984	2.115	16	118.7984	4.471	16	118.7490	4.322	21	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.5537	0.475	4	119.5537	0.226	4	118.7490	4.322	21	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NS)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	114.7400	0.000	1	114.7400	0.000	1	118.7490	4.322	21	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]N[6a])	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(OC){1|Cl<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.6230	0.000	1	119.6230	0.000	1	119.6230	0.000	1	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	B[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[5a])	O(B[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[5a]){1|C<3>,2|H<1>}	O(B[6]C[6]N[6])(C[6a]C[6a]2)	125.9150	0.000	1	125.9150	0.000	1	125.9150	0.000	1	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)2(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[5a]N[5a]2)(C[6a]C[6a]2)	118.9555	0.052	2	118.9555	0.003	2	118.9555	0.003	2	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6,6]C[6])(C[6a]C[6a]2)	122.7620	0.000	1	122.7620	0.000	1	119.9950	4.998	7	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|H<1>,2|C<3>}	O(C[6]C[6]N[6])(C[6a]C[6a]2)	117.1725	0.845	2	117.1725	0.714	2	119.9950	4.998	7	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6])	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])(C[6a]C[6a]2)	121.4720	0.356	2	121.4720	0.127	2	119.9950	4.998	7	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])(C[6a]C[6a]2)	119.9570	1.090	2	119.9570	1.189	2	119.9950	4.998	7	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC[6a]){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	120.2630	0.000	1	120.2630	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CHH)	118.2600	0.000	1	118.2600	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	118.2450	0.000	1	118.2450	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	O(C[6a]C[6a]2)(CCO)	117.3440	0.000	1	117.3440	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.3980	1.098	3	119.3980	1.206	3	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.7700	0.000	1	118.7700	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCO)	117.5710	0.000	1	117.8815	0.193	2	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	118.1920	0.000	1	117.8815	0.193	2	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[6a]O)	120.6350	0.000	1	120.6350	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	118.1132	1.133	4	118.1132	1.284	4	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CNO)	117.4950	0.000	1	117.4950	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	117.0130	0.000	1	117.0130	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	122.0810	0.000	1	122.0810	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	118.7030	0.000	1	118.7030	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	117.6940	0.355	2	117.6940	0.126	2	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCC)	115.0480	0.000	1	115.0480	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCH)	115.5630	0.000	2	115.5630	0.000	2	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	120.2700	0.971	3	119.1293	1.470	24	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	119.2320	0.000	1	119.1293	1.470	24	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	119.8520	0.000	1	119.1293	1.470	24	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	118.7178	0.420	5	119.1293	1.470	24	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	118.6400	0.119	2	119.1293	1.470	24	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	118.8455	1.583	10	119.1293	1.470	24	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	119.9430	0.873	2	119.1293	1.470	24	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5,5,6]O)	119.3560	0.000	1	119.3560	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	115.2550	0.260	3	115.9308	0.899	5	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	116.9445	0.183	2	115.9308	0.899	5	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	119.1521	1.635	12	119.3052	2.264	22	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	119.0805	0.264	4	119.3052	2.264	22	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	121.7815	1.518	2	119.3052	2.264	22	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.0953	0.343	3	119.3052	2.264	22	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.7180	0.000	1	119.3052	2.264	22	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	118.7140	0.000	1	119.2337	0.779	3	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	119.4935	1.074	2	119.2337	0.779	3	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHH)	114.5620	0.000	1	114.5620	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	119.1690	0.000	1	119.1690	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	116.4655	1.800	2	117.8296	1.540	10	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	118.1706	0.924	8	117.8296	1.540	10	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCO)	117.6665	0.032	2	117.6665	0.001	2	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CCO)	119.5800	0.000	1	119.5800	0.000	1	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	119.6760	1.212	6	119.8849	1.137	17	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	120.0997	1.018	10	119.8849	1.137	17	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CCO)	118.9910	0.000	1	119.8849	1.137	17	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6]O)	118.9165	0.049	2	118.9165	0.002	2	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.2207	0.312	6	119.2207	0.098	6	118.7853	2.489	119	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	115.3890	0.000	1	117.0380	13.730	12	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	114.6320	0.000	1	117.0380	13.730	12	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	117.4435	3.956	10	117.0380	13.730	12	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC[6a]){1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)2	119.9210	0.000	1	119.9210	0.000	1	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	117.8347	0.737	4	116.6713	4.322	20	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)2	118.0530	0.540	4	116.6713	4.322	20	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	115.8228	2.295	12	116.6713	4.322	20	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	122.9365	2.006	2	122.9365	4.024	2	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	118.6542	2.232	5	118.6542	4.983	5	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.4495	0.493	4	118.4495	0.243	4	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	119.3760	0.000	1	120.4140	2.155	2	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	121.4520	0.000	1	120.4140	2.155	2	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	116.4963	0.720	4	116.4963	0.518	4	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	117.8550	0.000	1	118.6223	0.611	3	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	119.0060	0.583	2	118.6223	0.611	3	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)2	117.6240	0.000	1	117.6240	0.000	1	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.5587	0.314	7	117.5587	0.099	7	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)2	119.3900	0.000	1	119.3900	0.000	1	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a]){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)2	121.1450	0.000	1	118.8005	10.993	2	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a]){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)2	116.4560	0.000	1	118.8005	10.993	2	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)2	123.2540	0.000	1	123.2540	0.000	1	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	120.9146	0.587	8	120.9146	0.345	8	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	115.1110	1.871	4	115.1110	3.502	4	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.1080	0.000	1	118.1080	0.000	1	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.2139	0.393	7	120.2139	0.155	7	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCo)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCo){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	114.1295	1.095	2	114.1295	1.200	2	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	113.9545	0.160	4	113.9545	0.026	4	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OPd)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OPd){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	113.5900	0.427	2	113.5900	0.182	2	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	115.8635	2.098	4	115.8635	4.402	4	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	120.0450	0.000	1	119.5980	0.400	2	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.1510	0.000	1	119.5980	0.400	2	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	115.8310	1.864	2	117.5141	4.272	24	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	119.5637	1.000	6	117.5141	4.272	24	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.1610	0.878	5	117.5141	4.272	24	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	118.7515	0.334	2	117.5141	4.272	24	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.9893	2.188	6	117.5141	4.272	24	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	114.6880	0.000	1	117.5141	4.272	24	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	120.3070	0.000	1	117.5141	4.272	24	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.0560	0.000	1	117.5141	4.272	24	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.6155	1.077	2	119.6155	1.160	2	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.3840	0.976	2	120.3840	0.952	2	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	117.5640	3.075	2	117.5640	9.453	2	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	116.2040	2.006	25	116.9507	5.472	33	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.2840	1.735	8	116.9507	5.472	33	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	116.9850	0.000	1	116.9850	0.000	1	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.1173	1.332	3	116.9048	3.663	4	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	119.2670	0.000	1	116.9048	3.663	4	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.5399	0.740	8	118.5399	0.547	8	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	114.9630	0.000	1	114.9630	0.000	1	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]O)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.7827	0.972	4	119.7827	0.945	4	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.9916	0.992	16	117.9916	0.983	16	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)2	120.0225	0.562	8	119.9492	0.380	10	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	119.6560	1.000	2	119.9492	0.380	10	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.6698	0.974	24	119.6698	0.948	24	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)2	120.5005	2.699	4	120.5005	7.284	4	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)2(OC[6a])	C[6a](C[6a]C[6a]O)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)2	119.8617	1.546	41	119.8617	2.390	41	118.3022	5.652	275	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PNO)	117.7758	1.686	4	117.7758	2.844	4	117.7758	2.844	4	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P[4]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[4]N[4]2)	119.8170	2.291	4	119.8170	5.247	4	123.0275	27.898	6	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P[4]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(P[4]N[4]2)	129.4485	0.250	2	129.4485	0.062	2	123.0275	27.898	6	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SC)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	119.1690	0.163	2	119.1690	0.026	2	119.3079	1.477	15	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCC)	119.1510	0.000	1	119.1510	0.000	1	119.3079	1.477	15	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]S)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(CCO)	119.5005	1.757	4	119.5005	3.087	4	119.3079	1.477	15	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]S)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CC[6a]O)	119.2660	1.263	8	119.2660	1.596	8	119.3079	1.477	15	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SC[6a]){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	116.1960	0.000	1	116.1960	0.000	1	116.1960	0.000	1	118.5960	5.445	521	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:S-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]S)(OS)	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]S)(SC)	O(C[6a]C[5,6,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]S)(OS){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6,6a]O)(C[6a]C[6a]S)(SC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6,6a]C[6a])(SC[6a]OO)	120.4480	0.000	1	120.4480	0.000	1	120.4480	0.000	1	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]O)(OC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]O)(OC){1|P<4>,1|S<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]O)(OC){1|P<4>,1|S<1>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	114.2986	3.468	8	114.2986	12.028	8	113.2599	7.077	16	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[5,6a]O)(OC)	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[5,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[5,6a]O)(OC){1|S<4>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[5,6a]O)(OC){1|S<4>,2|O<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	111.8310	0.374	6	111.8310	0.140	6	113.2599	7.077	16	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[5,6a]O)(OC)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[5,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[5,6a]O)(OC){1|Se<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[5,6a]O)(OC){1|Se<2>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	113.3920	0.581	2	113.3920	0.338	2	113.2599	7.077	16	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5,6a]O)(OC){1|Se<2>,1|N<2>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	113.6890	0.000	1	113.6890	0.000	1	117.4730	28.637	2	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5,6a]O)(OC){1|Se<2>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	121.2570	0.000	1	121.2570	0.000	1	117.4730	28.637	2	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	122.6130	1.536	2	122.6130	2.359	2	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(OC){1|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.5110	0.000	1	120.5110	0.000	1	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.8400	0.771	2	119.8400	0.594	2	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.7880	0.000	1	115.7880	0.000	1	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC){3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.0420	0.000	1	117.0420	0.000	1	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]O)(OC){1|H<1>,1|S<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(OC){1|P<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	122.7390	1.421	2	122.7390	2.020	2	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.5330	0.000	1	119.5330	0.000	1	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.4060	0.000	1	124.4060	0.000	1	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<3>,5|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.5990	0.000	1	120.5990	0.000	1	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.2540	0.000	1	119.5040	1.125	2	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.7540	0.000	1	119.5040	1.125	2	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,5|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	121.4600	0.000	1	118.8875	13.236	2	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){3|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.3150	0.000	1	118.8875	13.236	2	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CCCH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CCCH)	120.2830	0.000	1	120.2830	0.000	1	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.7830	0.000	1	120.2044	1.299	8	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|Br<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.0610	0.000	1	120.2044	1.299	8	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.4800	0.204	2	120.2044	1.299	8	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.8710	0.376	2	120.2044	1.299	8	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	122.4440	0.000	1	120.2044	1.299	8	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.6450	0.000	1	120.2044	1.299	8	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.0630	0.000	1	120.9435	4.429	14	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.1560	0.000	1	120.9435	4.429	14	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	121.0260	0.000	1	120.9435	4.429	14	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.7735	0.681	2	120.9435	4.429	14	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	121.8070	0.000	1	120.9435	4.429	14	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	126.4180	0.000	1	120.9435	4.429	14	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	121.0274	1.421	7	120.9435	4.429	14	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.7280	0.000	1	117.7280	0.000	1	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(OH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<3>,4|C<4>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(OH){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.3650	0.000	1	118.3650	0.000	1	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	122.2600	0.000	2	122.2600	0.000	2	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	122.5110	3.373	3	122.5110	11.376	3	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.6550	0.000	1	118.6550	0.000	1	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	122.4160	0.000	1	122.4160	0.000	1	120.6123	4.823	48	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:Si-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(SiC3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OSi){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(SiC3)	121.2770	0.000	1	121.2770	0.000	1	121.2770	0.000	1	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]O)(OC){1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]O)(OC){1|S<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	113.1838	0.350	6	113.1838	0.122	6	113.1838	0.122	6	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]O)(OC){1|N<2>,1|S<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	113.6760	0.000	1	113.6760	0.000	1	118.6190	18.325	3	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5a,6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5a,6a]O)(OC){1|S<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	121.1050	0.000	1	121.1050	0.000	1	118.6190	18.325	3	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(OC){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[5a,6a]C[6a])(CH3)	121.0760	0.000	1	121.0760	0.000	1	118.6190	18.325	3	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]Sn)(C[6a]C[5a,6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]O)(OC){1|Sn<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]Sn)(C[6a]C[5a,6a]O)(OC){1|S<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	114.1965	0.615	4	114.1965	0.378	4	118.8810	12.958	13	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	121.7440	0.000	1	121.8945	0.045	2	118.8810	12.958	13	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	122.0450	0.000	1	121.8945	0.045	2	118.8810	12.958	13	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(OC){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	120.8040	0.000	1	120.8040	0.000	1	118.8810	12.958	13	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	117.6190	0.000	1	117.6190	0.000	1	118.8810	12.958	13	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	120.2770	0.000	1	120.2770	0.000	1	118.8810	12.958	13	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(CH3)	118.5960	0.000	1	118.5960	0.000	1	118.8810	12.958	13	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(CH3)	122.9315	0.435	2	122.9315	0.189	2	118.8810	12.958	13	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	O(C[6a]C[5a,6a]C[6a])(CH3)	121.7190	0.000	1	121.7190	0.000	1	118.8810	12.958	13	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OC){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	121.4479	2.454	12	121.4479	6.021	12	121.4479	6.021	12	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.6372	0.673	8	120.6362	0.396	9	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.6280	0.000	1	120.6362	0.396	9	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.7015	0.342	2	120.7015	0.117	2	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.6920	3.110	2	119.6920	9.671	2	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OH){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.2370	0.000	1	118.2370	0.000	1	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.0600	0.000	1	120.0600	0.000	1	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	115.6160	0.827	2	115.6160	0.684	2	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	118.5000	0.750	3	118.5000	0.563	3	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.7220	1.629	3	118.7220	2.653	3	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.4260	0.000	1	120.5315	7.178	2	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.6370	0.000	1	120.5315	7.178	2	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.5950	0.000	1	118.5950	0.000	1	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.3320	0.000	1	116.4365	7.186	2	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	114.5410	0.000	1	116.4365	7.186	2	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	120.1070	0.000	1	120.7127	2.140	3	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	119.6500	0.000	1	120.7127	2.140	3	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CCHH)	122.3810	0.000	1	120.7127	2.140	3	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.5210	0.011	2	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.4843	0.563	3	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.7180	0.000	1	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.6837	2.127	3	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.4663	0.932	10	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.1434	2.827	5	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.2880	1.290	2	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.6430	0.000	1	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.6075	2.275	6	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.5420	0.062	2	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.8476	0.417	5	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.9930	0.000	1	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.0475	0.407	2	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.1930	0.000	1	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.4998	0.208	5	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.2794	1.814	14	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.3725	0.135	2	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.4340	1.000	2	120.5692	3.942	67	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.5440	0.000	1	117.3090	0.110	2	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.0740	0.000	1	117.3090	0.110	2	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.7020	0.000	1	119.9255	4.243	13	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.7150	0.256	2	119.9255	4.243	13	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.2215	1.476	2	119.9255	4.243	13	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.1970	0.000	1	119.9255	4.243	13	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.8640	0.000	1	119.9255	4.243	13	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.3430	0.000	1	119.9255	4.243	13	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.4730	0.000	1	119.9255	4.243	13	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.0625	0.384	2	119.9255	4.243	13	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.2270	0.840	2	119.9255	4.243	13	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.6870	0.000	1	119.6883	0.767	3	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.1890	0.194	2	119.6883	0.767	3	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	121.1460	0.000	1	121.1460	0.000	1	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.7760	0.000	1	122.7760	0.000	1	120.1453	4.119	118	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)	116.5220	0.000	1	116.5220	0.000	1	116.5220	0.000	1	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(PO3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OP){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(PO3)	118.2220	0.000	1	118.2220	0.000	1	118.2220	0.000	1	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5,6a]O)(OC)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5,6a]O)(OC){1|Se<2>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC){4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	117.7360	0.000	1	117.7360	0.000	1	118.0285	0.171	2	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5,6a]O)(OC)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5,6a]O)(OC){1|Se<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC){1|N<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	118.3210	0.000	1	118.3210	0.000	1	118.0285	0.171	2	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]O)(OC){1|N<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	117.3810	0.000	1	117.3810	0.000	1	118.9163	6.705	3	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5a,6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5a,6a]O)(OC){1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC){1|N<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	117.4620	0.000	1	117.4620	0.000	1	118.9163	6.705	3	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.9060	0.000	1	121.9060	0.000	1	118.9163	6.705	3	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC){1|O<2>,2|C<3>,2|N<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,2|B<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.8690	0.000	1	118.5477	1.203	12	121.1539	2.887	76	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC){2|N<3>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,2|B<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.4276	1.064	11	118.5477	1.203	12	121.1539	2.887	76	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.6509	1.389	34	121.5394	2.052	36	121.1539	2.887	76	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|N<3>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.1750	0.000	1	121.5394	2.052	36	121.1539	2.887	76	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.1130	0.000	1	121.5394	2.052	36	121.1539	2.887	76	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,2|B<3>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC){1|O<2>,2|C<3>,2|N<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.4530	0.000	1	122.4246	0.282	12	121.1539	2.887	76	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,2|B<3>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC){2|N<3>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.4220	0.556	11	122.4246	0.282	12	121.1539	2.887	76	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	120.8535	0.650	2	120.8535	0.422	2	121.1539	2.887	76	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.3501	1.272	14	121.3501	1.619	14	121.1539	2.887	76	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5])	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5]){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)	127.4390	1.050	3	127.4390	1.102	3	126.8450	6.075	7	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5])	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5]){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	128.0357	0.366	3	128.0357	0.134	3	126.8450	6.075	7	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OSn)	O(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]2Sn)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OSn){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]2Sn)	121.4910	0.000	1	121.4910	0.000	1	126.8450	6.075	7	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OS)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OS)	O(C[6a]C[6a,6a]C[6a])(SCOO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OS){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OS){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(SCOO)	120.1471	0.753	14	120.1471	0.566	14	120.1471	0.566	14	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.5940	0.000	1	117.5940	0.000	1	117.4975	4.001	6	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CN)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CN){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.4963	0.487	4	116.4963	0.237	4	117.4975	4.001	6	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	121.4060	0.000	1	121.4060	0.000	1	117.4975	4.001	6	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.1300	0.000	1	120.7445	11.381	2	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.3590	0.000	1	120.7445	11.381	2	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5a,6a,6a]N[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5a,6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]O)(OC){1|N<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.5390	0.000	1	115.5390	0.000	1	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.5920	0.000	1	119.2273	1.492	3	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.5450	0.436	2	119.2273	1.492	3	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.2430	0.000	1	120.6372	2.889	4	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.1020	1.617	3	120.6372	2.889	4	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.4100	0.000	1	118.4100	0.000	1	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)2(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC){1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)2(OC){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.7685	0.374	2	116.6295	0.401	4	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)2(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)2(OC){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.4905	0.993	2	116.6295	0.401	4	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.7000	0.000	1	118.7000	0.000	1	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	118.0730	0.089	2	118.0730	0.008	2	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.6520	0.000	1	117.6520	0.000	1	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.0830	0.000	1	119.7010	2.199	20	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.5830	0.000	1	119.7010	2.199	20	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.1562	0.120	4	119.7010	2.199	20	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.3230	0.000	1	119.7010	2.199	20	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.5830	0.458	5	119.7010	2.199	20	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.8420	0.000	1	119.7010	2.199	20	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.5213	0.430	7	119.7010	2.199	20	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.5470	0.000	1	117.5470	0.000	1	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.2980	0.000	1	118.9565	1.607	10	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.4920	0.000	1	118.9565	1.607	10	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.5490	0.190	3	118.9565	1.607	10	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.7860	0.697	2	118.9565	1.607	10	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.1853	1.540	3	118.9565	1.607	10	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.3520	0.000	1	116.8557	5.123	3	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	114.9370	0.000	1	116.8557	5.123	3	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|S<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.2780	0.000	1	116.8557	5.123	3	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.0475	0.124	2	119.1195	6.459	4	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.1450	0.000	1	119.1195	6.459	4	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.2380	0.000	1	119.1195	6.459	4	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.7610	0.255	5	120.9377	0.135	7	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.4140	0.000	1	120.9377	0.135	7	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.3450	0.000	1	120.9377	0.135	7	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.8105	0.069	2	119.8105	0.005	2	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.2850	0.000	1	121.1946	0.501	5	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.4220	0.568	4	121.1946	0.501	5	119.3665	3.375	71	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC[5])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)	122.4468	0.838	4	122.4468	0.703	4	121.6995	1.837	6	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[5])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[5]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)	120.2050	0.615	2	120.2050	0.378	2	121.6995	1.837	6	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]){1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.3470	0.140	2	121.3470	0.020	2	122.2198	1.202	5	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	123.3925	0.391	2	123.3925	0.153	2	122.2198	1.202	5	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a])	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.6200	0.000	1	121.6200	0.000	1	122.2198	1.202	5	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(OC)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3790	0.000	1	115.3790	0.000	1	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(OC)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.4690	0.245	2	119.4690	0.060	2	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<3>,5|C<4>}	O(C[6a]C[6a]2)(CH3)	119.4700	0.000	1	119.4700	0.000	1	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH){2|C<3>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	116.1740	0.000	1	116.1740	0.000	1	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,5|C<4>}	O(C[6a]C[6a]2)(CH3)	120.1370	0.000	1	120.6970	0.627	2	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	121.2570	0.000	1	120.6970	0.627	2	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8340	0.000	1	114.7540	0.013	2	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6740	0.000	1	114.7540	0.013	2	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|Br<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.2600	0.000	1	115.3531	0.259	9	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2155	0.240	2	115.3531	0.259	9	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(CH3)	115.2630	0.000	1	115.3531	0.259	9	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3470	0.541	3	115.3531	0.259	9	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5530	0.000	1	115.3531	0.259	9	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6300	0.000	1	115.3531	0.259	9	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OSi)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OSi){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7990	0.000	1	115.7990	0.000	1	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC3)	121.5350	0.000	1	121.5350	0.000	1	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1990	0.000	2	115.1990	0.000	2	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	114.9690	0.000	1	114.9690	0.000	1	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	113.0070	0.000	1	113.0070	0.000	1	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.9060	0.047	2	120.9060	0.002	2	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	120.3890	0.000	1	120.3890	0.000	1	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	124.5090	0.000	1	120.2576	2.146	14	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.3540	0.000	1	120.2576	2.146	14	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8330	0.000	1	120.2576	2.146	14	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.7190	0.000	1	120.2576	2.146	14	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2715	0.634	2	120.2576	2.146	14	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.1140	0.000	1	120.2576	2.146	14	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.9334	0.960	7	120.2576	2.146	14	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	119.8080	0.000	1	118.8373	1.401	3	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	118.3520	1.178	2	118.8373	1.401	3	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.2893	1.413	3	121.2893	1.996	3	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.7060	0.000	1	121.7060	0.000	1	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]O)(OC)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.0155	0.101	2	114.0155	0.010	2	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(OC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(OC){1|P<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]O)(OC){1|H<1>,1|S<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	114.9835	0.170	2	114.9835	0.029	2	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.3740	0.000	1	118.3740	0.000	1	118.0946	7.921	53	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.3530	0.000	1	114.3530	0.000	1	118.3754	4.204	7	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC){1|C<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8263	0.608	3	119.8263	0.369	3	118.3754	4.204	7	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.2653	0.988	3	118.2653	0.976	3	118.3754	4.204	7	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(OC){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3300	0.000	1	115.3300	0.000	1	116.1161	11.698	14	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9240	0.000	1	114.9240	0.000	1	116.1161	11.698	14	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	113.9760	0.967	2	113.9760	0.936	2	116.1161	11.698	14	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6030	0.000	1	120.7470	2.617	2	116.1161	11.698	14	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.8910	0.000	1	120.7470	2.617	2	116.1161	11.698	14	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	118.2900	0.000	1	118.2900	0.000	1	116.1161	11.698	14	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	118.4110	0.000	1	118.4110	0.000	1	116.1161	11.698	14	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.5470	0.986	2	119.5470	0.972	2	116.1161	11.698	14	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Sn)(C[6a]C[5a,6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]Sn)(C[6a]C[5a,6a]O)(OC){1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]O)(OC){1|Sn<4>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	112.5327	1.690	4	112.5327	2.854	4	116.1161	11.698	14	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.6860	0.000	1	116.6860	0.000	1	116.6860	0.000	1	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(OC)	C[6a](C[6,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.0825	0.378	2	119.0825	0.143	2	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]O)(OC)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	118.9770	0.000	1	118.9770	0.000	1	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OC)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.0835	0.749	2	115.0835	0.561	2	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OC)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	113.2250	0.000	1	113.2250	0.000	1	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	118.4870	0.000	1	118.4870	0.000	1	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	115.9086	0.324	8	115.8832	0.098	9	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	115.6800	0.000	1	115.8832	0.098	9	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OH){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.2840	0.000	1	114.2840	0.000	1	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	115.5835	0.940	6	115.5835	0.883	6	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	114.3560	0.000	1	114.6914	0.194	8	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	115.1560	0.000	1	114.6914	0.194	8	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.7360	0.000	1	114.6914	0.194	8	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	114.6566	0.506	5	114.6914	0.194	8	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	115.1400	0.000	1	115.1400	0.000	1	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.8530	0.000	1	123.8530	0.000	1	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	117.1470	0.000	1	117.1470	0.000	1	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4960	0.000	1	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8930	0.102	3	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0307	0.542	3	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8688	0.402	10	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	115.9495	0.728	2	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0640	0.000	1	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7883	0.255	6	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	115.8410	0.119	5	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4095	0.291	2	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7110	0.035	2	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.4290	0.000	1	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2880	0.835	5	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(CH3)	115.6125	0.422	2	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7110	0.958	6	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3020	0.025	2	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5527	0.343	14	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8770	0.000	1	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9055	0.213	2	115.9777	0.326	68	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5930	0.000	1	115.5930	0.000	1	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	114.3920	0.317	2	114.3920	0.100	2	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.1020	0.000	1	114.8459	0.249	11	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8633	0.550	3	114.8459	0.249	11	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.5740	0.078	2	114.8459	0.249	11	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.1090	0.646	2	114.8459	0.249	11	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3510	0.150	2	114.8459	0.249	11	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5450	0.000	1	114.8459	0.249	11	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OP)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OP){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0810	0.000	1	116.0810	0.000	1	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2350	0.000	1	115.2350	0.000	1	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	114.7670	0.000	1	114.7602	0.186	4	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3330	0.000	1	114.7602	0.186	4	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6470	0.000	1	114.7602	0.186	4	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.2940	0.000	1	114.7602	0.186	4	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	119.3360	0.000	1	120.4380	2.429	2	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	121.5400	0.000	1	120.4380	2.429	2	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	121.1940	0.105	2	121.1940	0.011	2	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.5435	0.439	2	119.9880	1.305	13	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	119.9205	0.374	2	119.9880	1.305	13	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.3910	0.000	1	119.9880	1.305	13	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	121.3310	0.000	1	119.9880	1.305	13	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.7080	0.000	1	119.9880	1.305	13	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.0740	0.000	1	119.9880	1.305	13	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.9740	0.000	1	119.9880	1.305	13	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.0380	0.303	2	119.9880	1.305	13	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.6810	0.242	2	119.9880	1.305	13	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	120.4610	1.054	2	120.4610	1.110	2	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.1420	0.000	1	118.7325	5.059	2	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.3230	0.000	1	118.7325	5.059	2	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2940	0.000	1	119.2940	0.000	1	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OC)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	113.2270	0.000	1	113.2270	0.000	1	116.4273	3.855	145	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[5a,6a,6a]N[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]O)(OC){1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.4280	0.000	1	114.4280	0.000	1	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	118.7310	0.000	1	118.7310	0.000	1	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OC)	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3690	0.000	1	115.8720	0.129	4	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OC)	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7063	0.170	3	115.8720	0.129	4	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.8820	0.000	1	118.8820	0.000	1	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.7335	2.133	2	120.7335	4.551	2	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5250	0.000	1	115.5250	0.000	1	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6110	0.000	1	116.3742	0.462	20	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.8650	0.000	1	116.3742	0.462	20	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.4480	0.000	1	116.3742	0.462	20	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2892	0.321	5	116.3742	0.462	20	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.6940	0.000	1	116.3742	0.462	20	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9095	0.643	4	116.3742	0.462	20	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.6830	0.275	7	116.3742	0.462	20	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC[5])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC[5]){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.5035	0.261	4	117.5035	0.068	4	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4340	0.229	3	115.2513	0.122	6	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2625	0.285	2	115.2513	0.122	6	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6810	0.000	1	115.2513	0.122	6	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0610	0.000	1	114.9373	0.893	4	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3000	0.000	1	114.9373	0.893	4	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.1940	0.424	2	114.9373	0.893	4	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4240	0.346	5	115.2751	0.206	7	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.4720	0.000	1	115.2751	0.206	7	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3340	0.000	1	115.2751	0.206	7	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[5])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[5]){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8820	0.204	2	114.8820	0.041	2	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.4110	0.000	1	114.4110	0.000	1	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.4800	0.000	1	119.8993	0.305	3	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6090	0.322	2	119.8993	0.305	3	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OH){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8110	0.000	1	119.8110	0.000	1	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	120.6460	0.000	1	120.6460	0.000	1	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.8520	0.000	1	120.7664	1.813	10	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.2610	0.000	1	120.7664	1.813	10	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	121.2327	1.432	3	120.7664	1.813	10	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.4233	0.562	3	120.7664	1.813	10	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	122.2915	0.779	2	120.7664	1.813	10	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	122.7602	0.315	5	120.9595	1.816	27	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.6100	0.450	2	120.9595	1.816	27	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.7275	1.012	18	120.9595	1.816	27	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.8955	0.995	2	120.9595	1.816	27	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.6080	0.000	1	120.0612	14.897	5	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.4245	4.357	4	120.0612	14.897	5	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.2170	0.000	1	119.0145	2.892	2	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.8120	0.000	1	119.0145	2.892	2	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)2(OC)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)2(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC){1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.7415	1.470	2	119.1868	1.409	4	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)2(OC)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)2(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6320	1.129	2	119.1868	1.409	4	118.3288	7.312	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC){3|C<3>}	O(C[6a]C[6a]2)(CHHO)	117.9030	0.000	1	117.9030	0.000	1	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.9720	0.687	2	119.9720	0.472	2	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC){1|Br<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CC){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(CC3)	119.1980	0.472	2	119.1980	0.223	2	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8790	0.000	1	114.8790	0.000	1	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.1653	0.508	4	115.1653	0.258	4	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3090	0.000	1	115.5570	0.123	2	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.8050	0.000	1	115.5570	0.123	2	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>,3|O<2>}	O(C[6a]C[6a]2)(CH3)	115.1750	0.000	1	114.9583	0.039	3	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN){1|C<3>,2|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8500	0.082	2	114.9583	0.039	3	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	118.7610	3.420	2	116.0849	2.456	22	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	115.6730	0.598	17	116.0849	2.456	22	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.9995	0.049	2	116.0849	2.456	22	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.9060	0.000	1	116.0849	2.456	22	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	123.6190	0.000	1	123.6190	0.000	1	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	117.3410	2.635	2	117.3410	6.942	2	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.5817	0.402	8	115.7867	1.835	19	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.7485	0.100	2	115.7867	1.835	19	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7120	0.000	1	115.7867	1.835	19	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5395	0.420	4	115.7867	1.835	19	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2637	0.304	3	115.7867	1.835	19	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	121.1360	0.000	1	115.7867	1.835	19	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.5737	0.710	3	115.3166	0.604	11	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.5952	0.627	8	115.3166	0.604	11	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	114.2460	0.000	1	114.2460	0.000	1	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.7780	0.000	1	115.2090	8.133	4	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.9985	0.682	2	115.2090	8.133	4	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	111.0610	0.000	1	115.2090	8.133	4	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.0940	0.000	1	117.0940	0.000	1	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3740	0.000	1	115.3740	0.000	1	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7738	0.451	4	114.7738	0.203	4	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCCH)	119.1850	0.000	1	119.1850	0.000	1	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(CC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CCHH)	119.0780	0.994	4	119.0780	0.989	4	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	118.0530	1.343	4	118.0530	1.803	4	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CHHO)	116.8575	0.153	2	116.8575	0.024	2	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.3383	8.057	4	119.3383	64.923	4	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	119.7280	2.541	2	119.7280	6.458	2	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CC)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CHHO)	117.6514	0.385	7	117.6514	0.148	7	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.7675	0.308	2	119.7675	0.095	2	116.6014	5.912	107	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6]){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CN){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	119.4560	0.000	1	119.4560	0.000	1	119.1392	2.012	5	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6])	C[6a](C[6a]C[6a]O)2(CN)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CN){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	117.7340	0.863	2	117.7340	0.744	2	119.1392	2.012	5	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6])	C[6a](C[6a]C[6a]O)2(CN)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6]){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CN){1|N<2>,2|O<2>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	120.1160	0.000	1	120.1160	0.000	1	119.1392	2.012	5	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6]){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(C[6]C[6]2O)	120.6560	0.000	1	120.6560	0.000	1	119.1392	2.012	5	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.6280	0.102	2	118.6280	0.010	2	117.9704	0.501	7	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SCOO)	117.7074	0.668	5	117.7074	0.447	5	117.9704	0.501	7	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0890	0.744	2	116.0890	0.553	2	115.4966	1.126	5	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC[6])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC[6]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7240	0.000	1	115.7240	0.000	1	115.4966	1.126	5	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	113.7420	0.000	1	113.7420	0.000	1	115.4966	1.126	5	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IO)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.8390	0.000	1	115.8390	0.000	1	115.4966	1.126	5	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.4723	3.528	7	117.0525	12.081	8	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.1140	0.000	1	117.0525	12.081	8	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CF3)	117.6090	0.000	1	117.6090	0.000	1	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	112.8450	0.000	1	115.4846	0.401	37	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5970	0.000	1	115.4846	0.401	37	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5760	0.359	4	115.4846	0.401	37	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.9210	0.000	1	115.4846	0.401	37	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5769	0.502	25	115.4846	0.401	37	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9840	0.000	1	115.4846	0.401	37	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2143	0.100	4	115.4846	0.401	37	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.5710	0.000	1	120.5710	0.000	1	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2893	0.498	3	115.2893	0.248	3	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4250	0.000	1	115.4250	0.000	1	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7055	1.210	2	115.7055	1.464	2	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.3040	0.000	1	115.3040	0.000	1	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NMo)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NMo){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.0920	0.160	2	115.0920	0.026	2	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NMo)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NMo){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5620	0.000	1	115.5620	0.000	1	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.8678	3.628	8	117.2279	5.244	26	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.4991	0.680	18	117.2279	5.244	26	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0860	0.693	2	115.8590	0.316	4	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6320	0.511	2	115.8590	0.316	4	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.7280	0.000	1	116.7280	0.000	1	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.7700	0.000	1	116.7700	0.000	1	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(NN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(NN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3768	1.045	6	116.2021	0.989	10	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(NN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(NN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9400	0.998	4	116.2021	0.989	10	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(NC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(NC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.6240	2.551	2	120.6240	6.509	2	116.3308	3.675	101	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]3)	118.0850	0.000	1	118.0850	0.000	1	118.8672	4.290	5	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(PC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]OO)	119.0627	2.338	4	119.0627	5.465	4	118.8672	4.290	5	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SiC3)	119.0495	0.646	2	118.9983	0.216	3	118.0547	1.463	7	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiC3)	118.8960	0.000	1	118.9983	0.216	3	118.0547	1.463	7	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiCCO)	117.3460	1.355	3	117.3460	1.836	3	118.0547	1.463	7	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	O(C[6a]C[6a]2)(SiClCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiClCO)	117.3500	0.000	1	117.3500	0.000	1	118.0547	1.463	7	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OC){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.5800	0.000	1	119.9205	0.232	2	118.2368	3.866	4	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OC){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	120.2610	0.000	1	119.9205	0.232	2	118.2368	3.866	4	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.5530	0.158	2	116.5530	0.025	2	118.2368	3.866	4	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.3449	0.297	10	114.3449	0.088	10	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1280	0.346	2	115.1280	0.120	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.3420	0.000	1	119.3420	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9570	0.000	1	115.9570	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	113.7550	0.024	2	113.7550	0.001	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.8975	0.334	2	115.2834	4.767	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	114.1753	0.457	4	115.2834	4.767	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.8855	3.726	2	115.2834	4.767	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	113.7590	0.443	2	113.7590	0.196	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1313	1.053	46	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.3054	0.904	49	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.4110	0.000	1	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	114.6050	0.164	2	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5845	0.419	33	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3060	0.000	1	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1561	0.860	48	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.0560	1.646	2	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.1310	0.000	1	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8390	0.000	1	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	115.1265	0.320	8	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6470	0.216	2	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.7320	0.000	1	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.5589	0.401	35	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	113.7965	3.152	2	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.2230	0.000	1	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	114.3710	0.000	1	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.7224	0.367	28	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0230	0.000	1	114.9423	0.685	263	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	113.6800	0.000	1	113.6800	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|I<1>,2|C<3>}	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]O)(OC){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	113.9930	0.000	1	113.9930	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6040	0.813	2	114.8613	0.295	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.7147	0.438	4	114.8613	0.295	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.1790	0.000	1	114.8613	0.295	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4180	0.133	2	114.8613	0.295	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5290	0.000	1	114.8613	0.295	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1115	0.499	8	114.8613	0.295	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	114.0050	0.000	1	114.0050	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]O)(OC){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.9210	0.000	1	119.9210	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.9300	0.000	1	117.4880	0.623	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.0460	0.000	1	117.4880	0.623	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.4030	0.208	2	119.4883	0.250	17	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	118.9835	0.122	2	119.4883	0.250	17	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8260	0.000	1	119.4883	0.250	17	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.8415	0.220	4	119.4883	0.250	17	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.2330	0.000	1	119.4883	0.250	17	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.4433	0.657	7	119.4883	0.250	17	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.4540	0.000	1	118.0308	6.593	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.6300	1.576	3	118.0308	6.593	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.8100	0.000	1	118.0308	6.593	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC){1|C<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.3537	1.138	3	119.2033	0.729	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC){1|C<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	119.0530	0.677	3	119.2033	0.729	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.8740	0.000	1	116.8740	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OC){1|N<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OH){1|S<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8060	0.000	1	115.8060	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	114.2460	0.000	1	114.2460	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	112.5980	0.000	1	112.5980	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	113.9260	0.000	1	114.5497	1.124	32	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5824	0.622	7	114.5497	1.124	32	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.7435	0.546	4	114.5497	1.124	32	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5510	0.336	4	114.5497	1.124	32	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	113.0400	0.000	1	114.5497	1.124	32	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	114.2307	0.638	7	114.5497	1.124	32	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.7117	2.490	4	114.5497	1.124	32	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	114.2270	0.548	4	114.5497	1.124	32	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	114.1990	0.000	1	114.1990	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.2435	0.337	2	114.7284	0.271	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.2805	0.136	2	114.7284	0.271	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5940	0.000	1	114.7284	0.271	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.0520	0.711	2	119.7326	0.555	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2365	0.944	2	119.7326	0.555	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.0860	0.000	1	119.7326	0.555	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	116.9960	0.000	1	116.9960	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.6600	0.000	1	118.6600	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1835	0.360	2	119.3595	1.589	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.5355	1.387	2	119.3595	1.589	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.4350	0.000	1	117.4350	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.9970	0.000	1	117.9970	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	117.5283	2.566	6	117.7718	8.230	12	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CCCH)	118.0153	3.373	6	117.7718	8.230	12	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.5737	1.733	22	115.5737	3.003	22	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9625	0.448	8	114.9625	0.201	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.1990	1.411	4	119.1990	1.991	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.4530	0.127	2	119.5652	0.232	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.7320	0.000	1	119.5652	0.232	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.9177	0.162	3	119.5652	0.232	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	118.2100	0.000	1	118.2100	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.2070	0.000	1	120.2070	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9060	0.000	1	114.9060	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3850	0.000	1	116.6356	4.772	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2165	0.218	2	116.6356	4.772	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	117.7247	3.296	3	116.6356	4.772	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4570	0.000	1	116.6356	4.772	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1320	0.000	1	115.1320	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	120.5140	0.000	1	115.4970	3.169	13	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.2030	0.000	1	115.4970	3.169	13	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.0357	0.832	4	115.4970	3.169	13	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	115.8505	0.152	2	115.4970	3.169	13	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	114.2647	0.751	4	115.4970	3.169	13	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	116.8410	0.000	1	115.4970	3.169	13	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.2490	0.000	1	114.2490	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5164	0.846	304	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	115.7980	0.000	1	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	116.3620	1.758	6	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.8089	1.869	9	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	114.9050	0.000	1	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4962	1.131	47	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.5310	0.000	1	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	113.8080	0.218	2	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7673	0.453	6	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	114.6295	0.394	2	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1394	0.425	9	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6514	0.529	9	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4685	0.006	2	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	115.2897	0.126	8	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1355	0.779	2	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5890	0.000	1	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4467	1.031	47	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	114.7232	0.533	9	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.2880	0.000	1	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	115.9520	0.899	2	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5392	0.771	30	115.4360	0.889	499	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.4120	0.000	1	116.4120	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.8640	1.618	2	116.8640	2.617	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1240	0.542	10	114.9997	0.331	12	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.5730	0.000	1	114.9997	0.331	12	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	114.1830	0.000	1	114.9997	0.331	12	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|I<1>,2|C<3>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8710	0.000	1	114.8710	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0853	0.247	3	115.0853	0.061	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3326	0.543	5	115.5087	0.214	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0840	0.407	2	115.5087	0.214	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6540	0.692	2	115.5087	0.214	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	115.2230	0.000	1	115.5087	0.214	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4440	0.000	1	115.5087	0.214	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7810	0.000	1	115.5087	0.214	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2990	0.305	2	115.5087	0.214	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3323	0.391	3	115.5087	0.214	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9740	0.000	1	115.5087	0.214	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	113.8845	0.182	2	114.1778	0.309	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.2675	0.760	4	114.1778	0.309	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.2915	0.411	2	114.1778	0.309	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.2180	0.000	1	121.2180	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	122.6400	0.838	3	122.6400	0.702	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.2460	0.000	1	119.2460	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.5302	0.535	5	120.5023	0.817	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.5050	0.349	2	120.5023	0.817	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.9170	0.000	1	120.5023	0.817	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.4950	1.701	3	120.5023	0.817	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.0960	0.000	1	120.5023	0.817	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.1515	0.179	2	120.5023	0.817	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.5390	0.000	1	120.5023	0.817	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.2450	0.096	2	120.5023	0.817	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.5510	0.000	1	120.5023	0.817	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.6800	0.229	2	119.3567	1.400	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.7100	0.000	1	119.3567	1.400	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6140	0.000	1	119.1360	0.457	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	118.6580	0.000	1	119.1360	0.457	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.2990	0.000	1	118.2990	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.9710	1.920	3	117.9710	3.688	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.7230	0.000	1	117.7230	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){5|C<3>}	O(C[6a]C[6a]2)(CHHO)	118.5450	0.278	4	118.5450	0.077	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){5|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.8680	2.151	2	118.8680	4.627	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.3915	0.359	2	119.3915	0.129	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.9570	0.000	1	119.5200	1.116	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.3015	1.395	2	119.5200	1.116	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3700	0.000	1	115.3700	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	113.9920	0.033	2	113.9920	0.001	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.3990	0.000	1	114.7713	0.083	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8953	0.181	3	114.7713	0.083	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCHH)	114.1435	0.501	6	114.3599	0.608	97	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	114.2924	0.594	17	114.3599	0.608	97	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCHH)	114.3859	0.753	18	114.3599	0.608	97	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	114.3952	0.868	56	114.3599	0.608	97	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.3240	0.000	1	114.5725	0.124	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.8210	0.000	1	114.5725	0.124	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	114.2180	0.167	2	114.5234	0.310	148	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.2956	0.532	31	114.5234	0.310	148	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5267	0.699	3	114.5234	0.310	148	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	115.1995	0.703	4	114.5234	0.310	148	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	114.4938	0.595	30	114.5234	0.310	148	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	114.7127	0.532	3	114.5234	0.310	148	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5939	0.515	75	114.5234	0.310	148	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1720	0.000	1	114.1843	0.658	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.1197	0.347	3	114.1843	0.658	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	113.9197	1.120	3	114.1843	0.658	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.7520	0.000	1	115.7520	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.7300	0.000	1	114.7327	0.255	23	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9372	0.527	11	114.7327	0.255	23	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.6360	0.000	1	114.7327	0.255	23	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5178	0.460	10	114.7327	0.255	23	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	113.7770	0.211	2	113.9737	0.138	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.3670	0.000	1	113.9737	0.138	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]Te)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|Te<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Te)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	114.5770	0.000	1	114.5770	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	121.6230	0.000	1	121.6230	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	117.1034	0.250	5	117.1034	0.062	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2680	0.000	1	119.2680	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.0860	0.000	1	119.8603	1.345	24	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.8660	0.000	1	119.8603	1.345	24	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	119.6781	1.226	11	119.8603	1.345	24	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.0215	1.129	11	119.8603	1.345	24	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	118.8568	0.814	10	118.8568	0.663	10	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.3272	4.493	4	118.7954	9.343	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	118.2635	0.925	4	118.7954	9.343	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.7640	0.000	1	118.7640	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Te)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]Te)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|Te<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.2615	0.655	2	122.2615	0.430	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Te)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]Te)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]Te)(C[6a]C[6a]O)(OC){1|Te<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Te)(C[6a]C[6a]O)(OC){1|Te<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.4085	2.900	8	119.4085	8.409	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.3110	0.779	4	119.3110	0.607	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	117.2530	0.000	1	117.2530	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	121.0460	0.000	1	120.5220	0.549	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.9980	0.000	1	120.5220	0.549	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.6725	0.171	4	118.8507	0.378	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.8110	1.192	2	118.8507	0.378	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6430	0.000	1	118.8507	0.378	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.8330	0.000	1	116.8330	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(OC){3|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.7482	1.435	6	120.7482	2.058	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.7304	1.628	23	119.8586	2.672	35	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.9110	0.000	1	119.8586	2.672	35	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.7350	0.000	1	119.8586	2.672	35	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.4925	0.491	2	119.8586	2.672	35	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.7026	1.743	8	119.8586	2.672	35	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.7880	2.222	2	118.7880	4.936	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	119.7320	0.000	1	119.8015	0.010	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8710	0.000	1	119.8015	0.010	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.6457	1.754	4	120.2774	2.986	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	118.8040	0.000	1	120.2774	2.986	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	118.1345	0.029	2	118.1345	0.001	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.7780	0.000	1	115.7780	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	120.6705	0.767	4	120.6705	0.588	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.8165	1.904	4	120.3342	2.130	17	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.5706	0.343	8	120.3342	2.130	17	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.0353	0.436	3	120.3342	2.130	17	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.3720	0.075	2	120.3342	2.130	17	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.4700	0.000	1	122.4700	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OSi)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OSi){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	119.7060	0.000	1	119.7060	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	119.0440	0.000	1	119.9380	1.598	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	120.8320	0.000	1	119.9380	1.598	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.9020	0.000	1	119.8085	1.315	20	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.6970	0.000	1	119.8085	1.315	20	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.8575	0.207	2	119.8085	1.315	20	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.9911	1.205	16	119.8085	1.315	20	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.3190	0.000	1	120.1081	1.249	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.7084	0.210	5	120.1081	1.249	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	117.8960	0.000	1	120.1081	1.249	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.9030	0.000	1	119.5959	1.025	49	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	118.7003	0.207	3	119.5959	1.025	49	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.8280	0.000	1	119.5959	1.025	49	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.7401	0.864	10	119.5959	1.025	49	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6700	1.168	28	119.5959	1.025	49	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.8493	0.704	3	119.5959	1.025	49	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2197	0.507	3	119.5959	1.025	49	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	117.3290	0.000	1	119.0730	6.083	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.8170	0.000	1	119.0730	6.083	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.3960	0.000	1	121.3960	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.9660	0.619	2	119.9660	0.384	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.2791	1.554	10	119.8476	2.034	76	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.8575	0.334	2	119.8476	2.034	76	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8325	1.970	8	119.8476	2.034	76	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.4160	0.000	1	119.8476	2.034	76	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	120.4275	0.610	2	119.8476	2.034	76	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.2587	1.189	26	119.8476	2.034	76	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	120.0834	0.890	16	119.8476	2.034	76	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.7837	1.713	4	119.8476	2.034	76	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.4573	0.798	4	119.8476	2.034	76	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6533	2.202	3	119.8476	2.034	76	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.1865	0.897	2	119.1865	0.805	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CHHO)	120.4730	0.000	1	119.6910	0.547	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CHHO)	119.0030	0.000	1	119.6910	0.547	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CHHO)	119.5970	0.000	1	119.6910	0.547	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.6000	0.000	1	119.6000	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	125.2795	0.880	2	123.8890	6.188	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	121.1080	0.000	1	123.8890	6.188	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CHHO)	118.5380	0.000	1	118.5380	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.8710	0.000	1	118.4597	0.287	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.7540	0.233	2	118.4597	0.287	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	121.2130	0.000	1	120.4665	1.115	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.7200	0.000	1	120.4665	1.115	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.8660	0.000	1	119.8597	0.706	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	118.8190	0.000	1	119.8597	0.706	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.8770	0.000	1	119.8597	0.706	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8770	0.000	1	119.8597	0.706	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	118.8860	0.000	1	120.4308	1.473	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	122.2380	0.000	1	120.4308	1.473	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.4990	0.267	2	120.4308	1.473	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0320	0.000	1	120.4308	1.473	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5,5]CH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5,5]CH)	121.1780	0.000	1	121.1780	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	120.4140	0.000	1	120.3053	0.096	9	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.1990	0.557	2	120.3053	0.096	9	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.3227	0.291	6	120.3053	0.096	9	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.8910	0.000	1	121.2317	3.810	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(CH3)	121.9020	2.219	2	121.2317	3.810	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OAl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OAl){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.3615	0.134	2	113.3615	0.018	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1350	0.000	1	115.3682	0.145	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1270	0.184	2	115.3682	0.145	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7260	0.346	2	115.3682	0.145	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.5200	0.000	1	114.4087	0.013	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.2690	0.000	1	114.4087	0.013	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.4230	0.076	2	114.4087	0.013	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6137	0.817	3	114.2806	0.177	15	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.1980	0.123	2	114.2806	0.177	15	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.1483	0.266	8	114.2806	0.177	15	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.1540	0.000	1	114.2806	0.177	15	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6320	0.000	1	114.2806	0.177	15	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5610	0.077	4	115.4063	0.157	9	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7100	0.000	1	115.4063	0.157	9	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4570	0.205	2	115.4063	0.157	9	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8945	0.689	2	115.4063	0.157	9	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.9560	0.000	1	114.9560	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	113.2115	0.260	2	113.8930	0.278	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.0840	0.263	2	113.8930	0.278	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.3760	0.000	1	113.8930	0.278	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	114.4330	0.000	1	113.8930	0.278	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.8510	0.000	1	113.8930	0.278	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1650	0.000	1	115.1835	0.001	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2020	0.000	1	115.1835	0.001	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	112.7890	0.000	1	113.3942	0.739	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	112.9605	0.490	2	113.3942	0.739	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.1305	0.943	2	113.3942	0.739	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7900	0.000	1	114.7900	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OAl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OAl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5784	3.129	7	115.5784	9.792	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OAu)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OAu){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1015	1.261	2	116.1015	1.590	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8250	0.322	2	115.6910	0.107	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.6240	0.355	4	115.6910	0.107	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4740	0.000	1	115.6755	0.356	77	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2550	0.000	1	115.6755	0.356	77	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6017	0.247	4	115.6755	0.356	77	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0515	0.591	12	115.6755	0.356	77	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7627	0.393	4	115.6755	0.356	77	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8550	0.000	1	115.6755	0.356	77	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3860	0.000	1	115.6755	0.356	77	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8830	0.000	1	115.6755	0.356	77	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5443	0.627	49	115.6755	0.356	77	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8030	0.226	3	115.6755	0.356	77	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8410	0.000	1	115.8305	0.000	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8200	0.000	1	115.8305	0.000	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCo)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCo){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.5108	3.586	5	116.5108	12.860	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCo)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCo){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.6583	0.633	3	113.9308	1.241	57	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCo)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCo){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1950	0.624	2	113.9308	1.241	57	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCo)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCo){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.8979	1.127	52	113.9308	1.241	57	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCr)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCr){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	112.9890	1.205	2	112.9890	1.452	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCu)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCu){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	120.4297	1.140	6	114.4635	4.421	68	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCu)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCu){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	113.8861	0.954	62	114.4635	4.421	68	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCu)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCu){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.9685	0.218	2	113.8548	0.353	29	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCu)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCu){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.8463	0.615	27	113.8548	0.353	29	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OFe)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OFe){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.3056	2.627	25	116.3056	6.899	25	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OFe)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OFe){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6353	1.693	10	114.8899	3.688	61	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OFe)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OFe){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9398	1.973	51	114.8899	3.688	61	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.7750	0.000	1	114.8976	0.502	43	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.2920	0.000	1	114.8976	0.502	43	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.8910	0.723	41	114.8976	0.502	43	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4268	0.851	6	114.6274	0.354	215	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.3201	0.500	21	114.6274	0.354	215	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.4660	0.184	2	114.6274	0.354	215	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	113.5730	0.826	4	114.6274	0.354	215	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.1620	0.296	2	114.6274	0.354	215	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.1292	0.951	4	114.6274	0.354	215	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7337	0.536	162	114.6274	0.354	215	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4886	0.411	8	114.6274	0.354	215	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4545	0.527	2	114.6274	0.354	215	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6270	0.000	1	114.6274	0.354	215	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4147	1.471	3	114.6274	0.354	215	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OMg)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OMg){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.9457	1.062	3	113.9457	1.128	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OMn)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OMn){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.7092	2.335	8	114.7092	5.453	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OMn)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OMn){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.5434	1.902	65	114.4901	3.614	67	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OMn)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OMn){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	112.7555	0.870	2	114.4901	3.614	67	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OMo)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OMo){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.9035	0.080	2	114.9035	0.006	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OMo)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OMo){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2314	0.629	14	115.2314	0.395	14	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.3890	1.793	28	114.3890	3.214	28	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.9653	2.418	7	114.9653	5.846	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CF3)	116.9000	0.345	2	116.9000	0.119	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.0970	0.396	2	114.0963	2.112	77	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.7800	0.005	4	114.0963	2.112	77	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.1141	1.512	71	114.0963	2.112	77	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OPd)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OPd){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	113.4105	0.032	2	113.4105	0.001	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OPd)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OPd){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.2970	0.000	1	113.4655	0.248	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OPd)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OPd){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.4992	0.549	5	113.4655	0.248	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5795	0.397	2	115.9760	0.271	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5965	0.285	2	115.9760	0.271	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7520	0.027	2	115.9760	0.271	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OSi)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OSi){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4880	0.000	1	114.4880	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OSn)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OSn){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4891	0.579	15	114.4891	0.336	15	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OV)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OV){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6155	0.138	4	114.6155	0.019	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OZn)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OZn){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.3906	1.174	11	114.3906	1.379	11	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OZn)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OZn){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.8985	0.279	2	113.8823	0.391	17	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OZn)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OZn){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.5035	0.448	2	113.8823	0.391	17	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OZn)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OZn){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.9381	0.687	13	113.8823	0.391	17	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.4580	0.000	1	115.4580	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6860	0.000	1	115.6870	0.000	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6880	0.000	1	115.6870	0.000	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC[6])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.9640	0.000	1	116.9640	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	113.7080	0.000	1	113.7080	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8180	0.000	1	115.8180	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.5540	0.000	1	115.5540	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	117.7585	0.531	2	116.7973	2.913	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8750	0.000	1	116.7973	2.913	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.2630	0.537	2	114.2656	0.644	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	113.8060	1.006	2	114.2656	0.644	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1900	0.000	1	114.2656	0.644	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(ORe)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(ORe){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.2290	0.000	1	120.2290	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6150	0.000	1	115.9702	0.183	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1420	0.000	1	115.9702	0.183	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	116.0720	0.000	1	115.9702	0.183	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8330	0.088	2	115.9702	0.183	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3260	0.000	1	115.9702	0.183	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.3850	0.000	1	115.3850	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6705	0.292	2	114.1008	0.292	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.7130	0.000	1	114.1008	0.292	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.7250	0.030	2	114.1008	0.292	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7990	0.000	1	115.4153	0.092	10	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3503	0.386	3	115.4153	0.092	10	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3838	0.268	6	115.4153	0.092	10	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	113.8570	0.523	2	113.8570	0.274	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC3)	119.0690	0.000	1	115.5110	25.319	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC3)	111.9530	0.000	1	115.5110	25.319	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.8195	0.011	2	116.7398	3.713	12	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	117.5215	2.693	2	116.7398	3.713	12	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCCH)	115.2040	0.000	1	116.7398	3.713	12	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	117.2020	2.285	6	116.7398	3.713	12	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	115.7800	0.000	1	116.7398	3.713	12	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.4103	0.518	14	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.6891	1.357	12	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	115.3360	0.349	2	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.8340	0.767	4	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.0685	3.201	22	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	121.5800	0.000	1	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8671	1.945	25	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.3030	0.540	2	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.3270	0.081	2	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	116.4372	1.633	18	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.1488	0.408	6	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	114.5518	1.064	5	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.9300	0.000	1	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	117.4242	3.000	10	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	116.4785	1.455	6	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	113.7710	0.000	1	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.8730	0.752	4	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.7424	1.870	27	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCHH)	117.9650	2.325	2	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	115.5172	0.718	6	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(CCHH)	116.7580	0.000	1	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	115.7920	0.000	1	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.7803	1.374	442	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.4695	1.243	52	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	114.5780	0.000	1	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	115.2170	0.000	1	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8063	2.063	33	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.3655	0.032	2	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pt<5>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.1634	2.021	8	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.5185	0.609	2	115.8391	2.642	713	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[3]HH)	115.0720	0.058	2	115.4776	0.140	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[3]HH)	115.7480	0.066	3	115.4776	0.140	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	115.1282	0.615	5	115.1282	0.378	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5a]CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]CC)	118.1120	0.000	1	118.1120	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	115.5998	1.976	11	115.8081	4.164	14	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	115.2770	0.000	1	115.8081	4.164	14	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	119.4910	0.000	1	115.8081	4.164	14	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	114.9470	0.000	1	115.8081	4.164	14	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	116.0694	1.279	9	115.9643	1.564	10	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	115.0180	0.000	1	115.9643	1.564	10	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]2H)	114.4870	0.000	1	114.4870	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.1787	1.612	21	115.3900	1.390	69	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.3880	0.000	1	115.3900	1.390	69	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.9350	0.000	1	115.3900	1.390	69	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.1040	0.000	1	115.3900	1.390	69	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.1825	0.565	4	115.3900	1.390	69	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.0472	1.268	9	115.3900	1.390	69	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.0833	0.522	24	115.3900	1.390	69	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.8220	0.656	8	115.3900	1.390	69	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HO)	119.6243	2.877	4	119.6243	8.275	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CFFH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CFFH)	119.9850	1.079	3	119.9850	1.164	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0780	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3457	0.494	8	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3563	0.484	6	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4806	0.967	10	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3127	0.474	22	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.0270	0.153	2	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8660	0.204	2	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4785	1.913	2	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1735	0.591	6	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0130	1.153	178	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.0257	0.319	11	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.7739	0.478	21	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	115.1440	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)(CH3)	115.9020	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	114.7050	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2748	0.921	212	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5403	0.417	66	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3808	0.279	4	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pt<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5561	0.360	10	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	115.5110	0.600	2	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9183	0.359	4	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0025	0.354	2	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3965	0.317	8	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.9150	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	114.7520	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3683	0.542	6	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4358	0.470	12	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7119	1.243	23	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.2320	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.7670	3.017	2	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1660	0.625	4	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2761	0.444	53	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0360	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.0040	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.2900	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	115.2790	1.063	2	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4970	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	115.3136	0.409	7	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4770	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1490	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)(CH3)	115.1385	1.171	12	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7630	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1715	0.729	2	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1790	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3600	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5039	0.747	194	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	115.2635	0.362	4	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.2270	0.429	6	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.2953	0.561	3	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	115.5610	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	114.8445	0.091	2	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5718	0.525	27	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3253	0.423	263	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4295	0.377	2	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3928	1.115	10	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3260	0.168	2	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4352	0.438	66	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.1015	0.488	17	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.5566	1.307	52	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<3>}	O(C[6a]C[6a]2)(CH3)	116.1990	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0794	0.553	314	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3405	0.390	2	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7174	1.470	60	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2730	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4117	0.377	4	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.9220	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.8270	0.000	1	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pt<5>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1225	0.629	2	115.4102	0.683	1750	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	115.7423	0.162	3	115.7385	0.017	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHHO)	115.7270	0.000	1	115.7385	0.017	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CN[5]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CN[5]HH)	117.3894	3.796	5	117.3894	14.408	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[4])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[4]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.9025	0.362	4	115.9025	0.131	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0720	0.000	1	116.0720	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9565	0.271	2	115.0282	0.143	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5090	0.000	1	115.0282	0.143	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6910	0.000	1	115.0282	0.143	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.8900	0.000	1	116.0327	0.412	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.7335	0.506	2	116.0327	0.412	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.7740	0.000	1	116.0327	0.412	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5793	0.369	6	116.1380	0.183	24	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9490	0.035	2	116.1380	0.183	24	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9562	0.306	5	116.1380	0.183	24	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1011	0.362	8	116.1380	0.183	24	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3990	0.000	1	116.1380	0.183	24	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9750	0.458	2	116.1380	0.183	24	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.4270	0.000	1	114.2366	0.295	26	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.0410	0.000	1	114.2366	0.295	26	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	113.9260	0.378	2	114.2366	0.295	26	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	114.5670	0.782	3	114.2366	0.295	26	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.2174	0.548	19	114.2366	0.295	26	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[3]HH)	114.6950	0.000	1	114.6950	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.2270	0.000	1	115.2270	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CFFH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CFFH)	119.8780	0.000	1	119.8780	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.0880	0.000	1	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.3120	0.000	1	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	115.7930	0.000	1	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	114.3480	0.000	1	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.6170	0.000	1	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	113.6185	1.026	2	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.5871	0.539	55	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3510	0.000	1	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0990	0.000	1	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6783	0.671	8	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.7995	0.637	49	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7760	0.000	1	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7140	0.635	2	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	114.9660	0.000	1	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4885	0.633	198	114.5716	0.409	323	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1512	0.692	16	115.9813	0.345	49	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8989	0.521	33	115.9813	0.345	49	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9331	0.573	8	115.9331	0.329	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.7215	0.937	2	115.7215	0.878	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3590	0.372	5	116.0732	0.237	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1862	0.321	6	116.0732	0.237	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7723	0.554	7	116.0732	0.237	18	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.0160	0.000	1	115.0160	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSn)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSn){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.9730	0.000	1	113.9730	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9200	0.000	1	114.9200	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.2245	0.339	2	113.2245	0.115	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OP)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Ir<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OP){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.3990	0.000	1	115.7464	0.976	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OP)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Ir<5>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OP){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1470	0.322	2	115.7464	0.976	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OP)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OP){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6330	0.866	4	115.7464	0.976	7	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6090	0.000	1	115.6090	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.1180	0.086	3	114.1180	0.007	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3400	0.000	1	116.3400	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3940	0.000	1	115.3940	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7090	0.028	2	115.7090	0.001	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.3648	1.667	4	115.1871	1.485	15	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.0234	1.360	7	115.1871	1.485	15	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.2960	0.579	4	115.1871	1.485	15	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	113.9120	0.857	2	113.9120	0.734	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	115.6070	0.000	1	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2210	0.194	2	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4793	1.291	28	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4025	0.298	4	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9925	0.636	11	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3363	0.719	288	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7452	1.220	34	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6630	0.000	1	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2862	0.461	8	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3664	0.992	20	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4692	0.430	34	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3593	0.343	8	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4246	0.409	68	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|O<2>,1|S<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0755	0.091	2	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3755	0.387	8	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4103	0.369	3	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8407	0.177	3	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6802	0.206	5	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2903	0.754	543	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6720	0.000	1	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6022	0.589	11	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|Ir<8>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1070	0.000	1	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6490	0.000	1	115.3541	0.567	1085	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC[5a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC[5a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6220	0.849	2	115.6220	0.720	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC[6])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC[6]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8970	0.584	2	114.8970	0.341	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6523	1.256	32	115.6369	1.487	34	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3915	0.162	2	115.6369	1.487	34	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.5560	0.775	2	114.5532	0.645	132	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6065	0.155	2	114.5532	0.645	132	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6226	0.943	59	114.5532	0.645	132	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6820	0.482	2	114.5532	0.645	132	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	113.6880	0.612	2	114.5532	0.645	132	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.2790	0.000	1	114.5532	0.645	132	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.5377	0.684	62	114.5532	0.645	132	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	113.8010	0.421	2	114.5532	0.645	132	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1435	0.202	2	115.1435	0.041	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|I<1>}	O(C[6a]C[6a]2)(CH3)	119.2160	0.000	1	119.2160	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.5565	1.611	2	119.5565	2.597	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	119.3330	0.000	1	119.3330	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|Ir<8>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.1940	0.000	1	117.1940	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.6200	0.000	1	121.6200	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.6290	2.693	2	120.1723	4.511	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.2590	0.000	1	120.1723	4.511	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	118.4030	0.000	1	118.4030	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	122.1210	0.000	1	122.1210	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	126.3860	0.000	1	126.3860	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	118.2250	0.000	1	120.4220	4.302	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.5205	1.167	2	120.4220	4.302	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	122.0180	1.512	2	122.2799	1.994	47	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	123.8655	3.095	2	122.2799	1.994	47	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	122.0129	1.247	8	122.2799	1.994	47	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	121.9573	0.910	26	122.2799	1.994	47	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<5>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	123.3309	2.095	8	122.2799	1.994	47	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<6>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	121.7510	0.000	1	122.2799	1.994	47	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.7710	0.000	1	121.7710	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)(CH3)	119.7560	0.000	1	119.7560	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<4>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.5440	0.000	1	119.5440	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.6410	0.000	1	118.6410	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.5850	0.000	1	118.5850	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]O)2(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.1058	0.843	8	120.1058	0.711	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.0975	0.610	4	119.0975	0.372	4	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.8940	0.000	1	120.0392	0.887	31	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.0669	0.918	23	120.0392	0.887	31	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.8390	0.000	1	120.0392	0.887	31	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	119.1840	0.949	2	120.0392	0.887	31	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1437	0.509	4	120.0392	0.887	31	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.1790	0.538	4	119.9874	0.401	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2210	0.000	1	119.9874	0.401	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.3830	0.000	1	116.6767	0.381	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3235	0.112	2	116.6767	0.381	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	119.7650	1.124	6	119.7650	1.262	6	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.6195	0.986	4	119.9502	1.495	71	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.9530	0.000	1	119.9502	1.495	71	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.6960	1.497	4	119.9502	1.495	71	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.5250	0.102	2	119.9502	1.495	71	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.2095	2.524	2	119.9502	1.495	71	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.3288	1.636	18	119.9502	1.495	71	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.9594	0.760	8	119.9502	1.495	71	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.5890	0.880	26	119.9502	1.495	71	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.7423	1.548	3	119.9502	1.495	71	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8817	1.196	3	119.9502	1.495	71	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.9780	0.000	1	119.6084	3.146	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.9340	0.000	1	119.6084	3.146	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.8880	0.000	1	119.6084	3.146	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.6134	1.271	5	119.6084	3.146	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	119.9900	0.000	1	119.5243	1.984	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.2915	1.908	2	119.5243	1.984	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.9490	0.000	1	120.1140	0.615	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.9960	0.000	1	120.1140	0.615	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.7960	0.387	2	120.1140	0.615	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.0330	0.000	1	120.1140	0.615	5	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.2490	0.000	1	119.4220	1.199	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.0085	0.578	2	119.4220	1.199	3	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]O)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.5300	0.000	1	119.5300	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.1160	3.528	2	119.1160	12.450	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCCH)	119.9377	0.981	12	119.9681	1.010	14	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	120.1505	1.572	2	119.9681	1.010	14	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	121.2890	1.305	6	120.3700	3.715	22	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	120.4052	1.385	4	120.3700	3.715	22	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	119.4247	5.064	3	120.3700	3.715	22	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.0267	0.731	8	120.3700	3.715	22	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]O)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.2960	0.000	1	120.3700	3.715	22	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.8940	0.614	2	120.4456	1.660	16	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.9040	0.530	8	120.4456	1.660	16	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	123.4305	0.650	2	120.4456	1.660	16	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.3120	0.655	4	120.4456	1.660	16	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.7353	0.487	4	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.5930	0.000	1	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.3270	1.233	3	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.9414	0.757	5	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.4089	1.103	8	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.5138	1.451	5	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.0330	0.000	1	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.1490	0.406	2	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.1973	0.841	28	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.1965	0.805	282	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.0200	0.626	2	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.2680	0.597	8	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.2123	1.206	67	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|O<2>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	120.2295	0.870	2	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.0450	0.475	8	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1351	1.175	529	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.5533	1.025	34	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.3325	1.030	33	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	121.0805	0.381	2	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8377	0.881	6	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|Ir<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2500	0.000	1	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.4100	0.000	1	120.1867	1.129	1032	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.3851	2.995	8	120.3851	8.968	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.1210	0.000	1	120.1210	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	118.6750	0.000	1	118.6750	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.2820	0.481	2	118.7259	1.773	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.3123	1.305	4	118.7259	1.773	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.4890	0.000	1	118.7259	1.773	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	117.5050	0.000	1	118.7259	1.773	8	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.8780	8.723	2	121.8780	76.088	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.1680	0.000	1	118.1680	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|Ir<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6480	0.000	1	119.6480	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.3650	0.416	2	120.3604	1.935	47	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.1375	0.631	2	120.3604	1.935	47	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.2270	1.684	8	120.3604	1.935	47	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<4>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.4581	1.495	26	120.3604	1.935	47	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<5>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.4446	1.198	8	120.3604	1.935	47	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<6>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.6500	0.000	1	120.3604	1.935	47	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.8090	0.214	2	120.8090	0.046	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)2(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)2(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.3350	0.000	1	120.3350	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.8235	0.903	2	117.8235	0.815	2	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(OC){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8410	0.000	1	115.8410	0.000	1	116.2906	5.475	8391	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(C[4]C[4]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[4]C[4]2H)	119.9535	3.343	4	119.9535	11.177	4	119.9535	11.177	4	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[5]){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	117.5640	0.000	1	117.5640	0.000	1	119.3780	6.581	2	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	121.1920	0.000	1	121.1920	0.000	1	119.3780	6.581	2	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(C[6]C[6]2C)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2C)	114.6740	0.000	1	114.6740	0.000	1	115.8110	5.553	4	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	113.8240	0.000	1	113.8240	0.000	1	115.8110	5.553	4	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	117.3730	2.557	2	117.3730	6.538	2	115.8110	5.553	4	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OP)	O(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OP){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]2O)	117.7070	1.755	3	117.7070	3.080	3	117.3029	4.608	57	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(PC[6a]CO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OP){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(PC[6a]CO)	121.8840	0.000	1	121.8840	0.000	1	117.3029	4.608	57	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(PC[5]PdO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PC[5]PdO)	117.6577	1.811	3	117.6577	3.280	3	117.3029	4.608	57	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(PC[5]PtO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PC[5]PtO)	118.0228	2.073	4	118.0228	4.296	4	117.3029	4.608	57	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(PC[6a]2Cu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Cu)	117.4965	3.641	4	117.4965	13.256	4	117.3029	4.608	57	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2O)	115.3880	0.000	1	115.3880	0.000	1	117.3029	4.608	57	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(PCuNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PCuNO)	116.5921	1.406	8	116.2079	1.706	28	117.3029	4.608	57	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(PCuNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PCuNO)	116.0542	1.269	20	116.2079	1.706	28	117.3029	4.608	57	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(PRhNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PRhNO)	116.5130	0.732	4	116.5130	0.536	4	117.3029	4.608	57	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PO3)	117.9750	0.000	1	118.3545	0.288	2	117.3029	4.608	57	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PO3)	118.7340	0.000	1	118.3545	0.288	2	117.3029	4.608	57	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Ir<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	120.9530	0.000	1	120.6057	0.390	7	117.3029	4.608	57	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Ir<5>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	120.0255	0.808	2	120.6057	0.390	7	117.3029	4.608	57	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PIrCC)	120.8090	0.492	4	120.6057	0.390	7	117.3029	4.608	57	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[6])	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[6]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[6]O[6]2O)	118.1690	2.550	2	118.1690	6.502	2	118.1690	6.502	2	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.8580	0.000	1	118.8580	0.000	1	118.0011	1.830	41	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.5260	0.136	2	117.4700	0.041	6	118.0011	1.830	41	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.6105	0.111	2	117.4700	0.041	6	118.0011	1.830	41	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.2735	0.230	2	117.4700	0.041	6	118.0011	1.830	41	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.5610	0.000	1	117.5610	0.000	1	118.0011	1.830	41	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SCOO)	116.9280	0.000	1	117.6075	0.923	2	118.0011	1.830	41	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SCOO)	118.2870	0.000	1	117.6075	0.923	2	118.0011	1.830	41	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.4123	0.372	4	117.8349	0.682	18	118.0011	1.830	41	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.8980	0.957	9	117.8349	0.682	18	118.0011	1.830	41	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.0596	0.843	5	117.8349	0.682	18	118.0011	1.830	41	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.1063	0.715	3	119.1063	0.512	3	118.0011	1.830	41	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.2495	1.702	2	118.2495	2.897	2	118.0011	1.830	41	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]O)2(OS)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	116.0412	1.371	4	116.0412	1.878	4	118.0011	1.830	41	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]O)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]O)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OS){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.6445	0.352	4	120.6445	0.124	4	118.0011	1.830	41	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:Si-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OSi)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OSi){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OSi){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SiC3)	117.8208	1.527	4	117.8208	2.331	4	118.7130	2.680	9	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SiCCO)	117.2640	0.000	1	117.2640	0.000	1	118.7130	2.680	9	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OSi){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(SiC3)	118.5190	0.000	1	118.5190	0.000	1	118.7130	2.680	9	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6,6])	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OSi){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6,6]){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(SiC3)	120.5770	0.000	1	120.5770	0.000	1	118.7130	2.680	9	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SiC3)	120.2370	0.000	1	120.2370	0.000	1	118.7130	2.680	9	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiC3)	120.5370	0.000	1	120.5370	0.000	1	118.7130	2.680	9	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(PC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8305	0.303	2	114.8305	0.092	2	114.8305	0.092	2	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHH)	118.3950	0.000	1	118.3950	0.000	1	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.0510	0.000	1	120.2724	1.707	5	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	120.8277	0.469	4	120.2724	1.707	5	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SNi)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SNi){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3345	0.234	2	115.3345	0.055	2	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.1237	1.964	3	116.1237	3.857	3	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.2770	0.000	1	118.2770	0.000	1	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.3480	0.338	2	115.5245	0.286	6	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6128	0.638	4	115.5245	0.286	6	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[5])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[5]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8875	1.015	2	114.8875	1.030	2	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.6160	0.000	1	115.6160	0.000	1	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9080	0.000	1	116.1763	1.572	6	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6937	0.821	4	116.1763	1.572	6	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.3750	0.000	1	116.1763	1.572	6	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SGe)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SGe){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6815	0.359	4	115.6815	0.129	4	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(SC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3263	0.227	3	115.3263	0.052	3	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(SC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(SC){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5678	0.202	4	116.5678	0.041	4	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(SC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(SC){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.2180	0.339	2	117.2180	0.115	2	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	119.9403	1.381	6	120.3244	1.030	127	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|Br<1>,1|C<3>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	120.3295	1.293	32	120.3244	1.030	127	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	120.5978	0.728	33	120.3244	1.030	127	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	120.2048	0.941	54	120.3244	1.030	127	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|N<3>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	120.1105	0.507	2	120.3244	1.030	127	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(CC[5a]HH)	120.6305	1.249	2	120.6305	1.561	2	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.8683	3.398	4	120.2397	2.682	16	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.0501	0.592	8	120.2397	2.682	16	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|N<3>,1|S<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.9903	0.584	4	120.2397	2.682	16	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|Br<1>,1|C<3>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	120.2083	0.713	7	120.2083	0.508	7	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)2(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	119.8612	1.031	6	119.8612	1.064	6	119.5404	3.837	198	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:In-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OIn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC)	O(C[6a]C[6a]2)(InO[5]CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OIn){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(InO[5]CO)	120.8170	1.102	4	120.8170	1.213	4	120.8170	1.213	4	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PO3)	118.8180	0.442	4	118.8180	0.195	4	119.3198	0.759	6	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(POOS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(POOS)	120.3235	0.432	2	120.3235	0.187	2	119.3198	0.759	6	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]S)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(SCOO)	118.8808	1.400	4	118.8808	1.959	4	119.3033	0.780	11	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]S)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|Br<1>,1|C<3>,1|S<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.5447	0.365	7	119.5447	0.133	7	119.3033	0.780	11	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]S)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]S)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(SiC3)	120.8077	0.577	4	120.8077	0.333	4	120.8077	0.333	4	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6650	0.000	1	115.0622	0.226	5	115.3243	0.687	9	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4170	0.000	1	115.0622	0.226	5	115.3243	0.687	9	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9000	0.000	1	115.0622	0.226	5	115.3243	0.687	9	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.1645	0.278	2	115.0622	0.226	5	115.3243	0.687	9	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeSe)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeSe){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.1117	0.400	3	115.1117	0.160	3	115.3243	0.687	9	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(SeTi)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(SeTi){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.2730	0.000	1	117.2730	0.000	1	115.3243	0.687	9	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeSe)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeSe){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	116.0170	0.540	2	116.0170	0.292	2	116.0170	0.292	2	116.5824	6.336	9726	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC[5])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	O(C[5]C[5]O[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC[5]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5]O[5]H)(C[6a]C[6a]2)	113.8230	0.000	1	113.8230	0.000	1	113.8230	0.000	1	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){2|C<3>,4|C<4>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	115.1780	0.000	1	116.7142	2.192	5	116.7142	2.192	5	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){2|C<3>,4|C<4>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	117.0982	1.393	4	116.7142	2.192	5	116.7142	2.192	5	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(OC[5])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(NC)	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(OC[5]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(NC){1|C<3>,2|F<1>}	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	123.7505	0.011	2	123.7505	0.000	2	123.7505	0.000	2	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	118.3960	0.000	1	118.3960	0.000	1	118.3960	0.000	1	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	B[5a]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[6])	O(B[5a]O[5a]2C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[6]){1|C<3>,2|H<1>}	O(B[5a]O[5a]2C[6])(C[6a]C[6a]2)	124.8730	0.000	1	124.8730	0.000	1	124.8730	0.000	1	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[5,6])	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	O(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[5,6]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)	116.8770	0.000	1	116.8770	0.000	1	116.8770	0.000	1	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5])	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5]){1|C<3>,1|C<4>,1|O<2>}	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	120.5160	0.000	1	120.5160	0.000	1	120.4270	0.016	2	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[5])	O(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[5]){1|C<3>,2|H<1>}	O(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	120.3380	0.000	1	120.3380	0.000	1	120.4270	0.016	2	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6,6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OSi)	O(C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6,6]){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OSi){2|Cl<1>,1|C<3>}	O(C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]2)	119.6220	0.000	1	119.6220	0.000	1	119.6220	0.000	1	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	124.3230	0.000	1	124.3230	0.000	1	118.9337	11.332	6	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	116.4875	0.069	2	116.4900	0.002	3	118.9337	11.332	6	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	116.4950	0.000	1	116.4900	0.002	3	118.9337	11.332	6	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]O)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	119.9045	2.795	2	119.9045	7.813	2	118.9337	11.332	6	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(P[4]N[4]2Cu)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(P[4]N[4]2Cu)(C[6a]C[6a]2)	116.8830	0.697	2	116.8830	0.486	2	121.1043	55.714	6	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(P[4]N[4]2Pd)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(P[4]N[4]2Pd)(C[6a]C[6a]2)	116.7690	0.000	1	116.7690	0.000	1	121.1043	55.714	6	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(P[4]N[4]2Rh)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	O(P[4]N[4]2Rh)(C[6a]C[6a]2)	114.8410	0.000	1	114.8410	0.000	1	121.1043	55.714	6	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	O(P[4]N[4]2Pd)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,1|H<1>,1|O<2>}	O(P[4]N[4]2Pd)(C[6a]C[6a]2)	130.6250	1.771	2	130.6250	3.135	2	121.1043	55.714	6	119.4517	20.288	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(P[5]C[6a]N[5]O[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,2|C<4>}	O(P[5]C[6a]N[5]O[5]O)(C[6a]C[6a]2)	120.3455	1.510	2	120.3455	2.279	2	119.4296	1.517	12	119.4296	1.517	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(P[5]N[5]O[5]ClO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,2|C<4>}	O(P[5]N[5]O[5]ClO)(C[6a]C[6a]2)	117.8955	1.358	2	117.8955	1.845	2	119.4296	1.517	12	119.4296	1.517	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,2|C<4>}	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	120.1235	0.057	2	120.1235	0.003	2	119.4296	1.517	12	119.4296	1.517	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(P[5]N[5a]N[5]O[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,2|C<4>}	O(P[5]N[5a]N[5]O[5]O)(C[6a]C[6a]2)	119.0438	1.099	4	119.0438	1.207	4	119.4296	1.517	12	119.4296	1.517	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:2:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-2:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a])	O(P[5]O[5]2OO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]){1|C<3>,2|C<4>}	O(P[5]O[5]2OO)(C[6a]C[6a]2)	120.1255	0.156	2	120.1255	0.024	2	119.4296	1.517	12	119.4296	1.517	12	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]O)(CCO)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]O)(CCO){2|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	122.3020	0.000	1	122.3020	0.000	1	122.3020	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CHO)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	122.0150	0.000	1	122.0150	0.000	1	122.3020	0.165	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]O)(CCO)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	122.5890	0.000	1	122.5890	0.000	1	122.3020	0.165	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(COO)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OH){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(COO){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	123.6785	0.426	2	123.6785	0.182	2	123.6785	0.182	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O){1|C<2>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	122.4380	0.000	1	122.7340	0.175	2	123.0112	0.492	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O){5|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	123.0300	0.000	1	122.7340	0.175	2	123.0112	0.492	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CHO)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CHO){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	122.1978	0.135	5	122.1978	0.018	5	123.0112	0.492	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(COO)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	123.0340	0.000	1	123.0340	0.000	1	123.0112	0.492	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O){1|C<2>,1|N<3>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	123.7190	0.000	1	123.8945	0.062	2	123.0112	0.492	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O){1|N<3>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	124.0700	0.000	1	123.8945	0.062	2	123.0112	0.492	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CHO)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(H)	122.3190	0.000	1	122.3190	0.000	1	123.0112	0.492	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CCO)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(H)	123.3993	0.207	6	123.3993	0.043	6	123.0112	0.492	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(COO)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(H)	124.2060	0.000	1	124.2060	0.000	1	123.0112	0.492	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CHO)	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6,6a]C[6a])(H)	122.0865	0.260	2	122.0865	0.067	2	122.0865	0.067	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCO){1|C<4>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.0610	0.679	3	121.0610	0.461	3	120.6908	0.488	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CHO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CHO){1|C<3>,3|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	120.1355	0.053	2	120.1355	0.003	2	120.6908	0.488	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CHO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CHO){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.0190	0.000	1	122.0190	0.000	1	122.1540	0.036	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(CC[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(CC[6a]O){4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.2890	0.000	1	122.2890	0.000	1	122.1540	0.036	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	115.3950	0.000	1	115.3950	0.000	1	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CHO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CHO){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	120.2550	0.000	1	120.2550	0.000	1	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CNO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OH){2|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CNO){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	113.5075	0.452	2	113.5075	0.204	2	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(CHN)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(CHN){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.1105	0.158	2	116.1105	0.025	2	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.9665	0.049	2	121.9665	0.002	2	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.7810	0.045	2	122.7810	0.002	2	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CC[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.7820	0.000	1	121.7820	0.000	1	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[3x3]C[6a])(C[6a]C[6,6a]O)(COO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<7>,1|O<1>,3|C<3>}	C[6a](C[6a]C[3x3]C[6a])(C[6a]C[6,6a]O)(COO){2|C<3>,2|C<7>,2|H<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	116.8150	0.000	1	116.8150	0.000	1	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.3190	0.000	1	117.3190	0.000	1	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.1870	0.000	1	120.2690	9.084	5	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	122.5860	0.291	2	120.2690	9.084	5	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.9930	0.608	2	120.2690	9.084	5	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	121.9350	0.018	2	121.7044	0.121	10	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	121.9065	0.265	2	121.7044	0.121	10	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.5602	0.375	6	121.7044	0.121	10	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CHN)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.0933	0.006	3	119.0933	0.000	3	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(H)	120.8940	0.000	1	121.4168	0.179	5	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	121.4820	0.403	3	121.4168	0.179	5	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.7440	0.000	1	121.4168	0.179	5	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.6950	0.187	5	119.2708	1.107	6	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.1500	0.000	1	119.2708	1.107	6	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(COO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.3250	0.397	2	118.4420	1.169	4	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(COO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(COO){3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.5590	0.481	2	118.4420	1.169	4	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(COO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(H)	123.6600	0.793	3	123.6600	0.628	3	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(COO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	123.8055	0.088	2	123.8055	0.008	2	120.2164	6.996	51	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(C[6]C[6]2)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH){1|C<4>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.4880	0.000	1	117.4880	0.000	1	117.4880	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.3150	0.000	1	118.3150	0.000	1	119.0013	0.405	12	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.7698	0.642	5	119.1279	0.458	9	119.0013	0.405	12	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,6|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	119.5755	0.437	4	119.1279	0.458	9	119.0013	0.405	12	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.7750	0.267	2	118.7750	0.071	2	119.0013	0.405	12	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(NCH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|O<1>,4|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(NCH){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.8005	0.235	2	118.8005	0.055	2	120.3891	18.499	7	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.9605	0.490	2	118.9605	0.240	2	120.3891	18.499	7	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(NOO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(NOO){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.5425	0.344	2	118.5425	0.119	2	120.3891	18.499	7	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<4>}	O(C[6a]C[6,6a]C[6a])(H)	130.1170	0.000	1	130.1170	0.000	1	120.3891	18.499	7	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(OH)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(COO){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	122.9310	0.000	1	122.9310	0.000	1	122.8510	0.013	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.7710	0.000	1	122.7710	0.000	1	122.8510	0.013	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(OH)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(OH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.8240	0.000	1	121.8240	0.000	1	121.8240	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CCO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CCO){1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.2480	0.000	1	122.2480	0.000	1	122.2108	1.810	4	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CHO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CHO){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.3050	0.000	1	120.3050	0.000	1	122.2108	1.810	4	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(COO){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.1450	0.223	2	123.1450	0.050	2	122.2108	1.810	4	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.1455	2.106	2	121.1455	4.437	2	122.6674	3.686	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.7170	0.000	1	123.7170	0.000	1	122.6674	3.686	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.8010	0.000	1	124.8010	0.000	1	122.6674	3.686	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.5280	0.000	1	122.5280	0.000	1	122.6674	3.686	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]O)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]O)(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.5360	0.000	1	123.5360	0.000	1	121.2108	2.572	4	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH){2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCO){1|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.5100	0.687	2	120.5100	0.472	2	121.2108	2.572	4	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CC[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH){2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CC[6a]O){1|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.2870	0.000	1	120.2870	0.000	1	121.2108	2.572	4	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(OH){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a,6a]O){1|H<1>,7|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.6370	0.000	1	118.6370	0.000	1	118.6370	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(OH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(COO){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.6050	0.000	1	123.6050	0.000	1	123.8445	0.115	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(COO){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.0840	0.000	1	124.0840	0.000	1	123.8445	0.115	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(OH){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.0000	3.683	2	121.0000	13.562	2	122.3297	12.085	3	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(OH){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.9890	0.000	1	124.9890	0.000	1	122.3297	12.085	3	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.3460	0.000	1	121.3460	0.000	1	121.3460	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]O[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	122.9890	0.000	1	122.9890	0.000	1	122.9890	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[5,6a]O)(CNO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[5,6a]O)(CNO){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.8267	0.099	3	121.8267	0.010	3	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.6003	0.345	3	120.6003	0.119	3	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.2345	0.094	2	119.2345	0.009	2	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.7230	0.000	1	120.7230	0.000	1	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CHN)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CHN){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.4350	0.000	1	116.4350	0.000	1	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.8340	0.303	2	120.8340	0.092	2	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CC[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CC[6a]O){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.1305	0.879	2	123.1305	0.773	2	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(COO){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.4515	0.274	2	123.4515	0.075	2	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCN)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.7675	0.162	6	122.7675	0.026	6	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.8440	0.000	1	121.6065	1.144	12	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.7078	0.628	9	121.6065	1.144	12	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.5320	0.049	2	121.6065	1.144	12	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.0030	0.000	1	122.0030	0.000	1	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.9690	0.208	2	121.2557	0.268	3	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.8290	0.000	1	121.2557	0.268	3	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.3197	2.280	3	120.2938	4.380	5	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.7550	0.054	2	120.2938	4.380	5	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.2940	0.099	2	122.5194	1.092	27	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.4944	0.760	20	122.5194	1.092	27	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.6620	0.000	1	122.5194	1.092	27	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.2440	0.985	3	122.5194	1.092	27	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.1550	0.000	1	122.5194	1.092	27	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.4450	0.098	2	119.4450	0.010	2	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.5740	0.000	1	122.5740	0.000	1	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.2000	0.000	1	122.0375	0.053	2	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.8750	0.000	1	122.0375	0.053	2	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[5]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[5]O){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.1133	0.275	3	122.1133	0.076	3	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CNO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CNO){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.3710	0.000	1	119.6275	15.054	2	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CNO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CNO){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.8840	0.000	1	119.6275	15.054	2	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(COO){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.7930	0.687	2	122.7930	0.472	2	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.2950	0.000	1	123.2950	0.000	1	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCO){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.5277	0.611	3	122.5277	0.373	3	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CHN)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CHN){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.4040	0.000	1	122.4040	0.000	1	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CNS)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CNS){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	125.4130	0.000	1	125.4130	0.000	1	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(H)	119.9940	0.000	1	119.9940	0.000	1	121.8460	2.401	89	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(OH){7|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.7779	0.757	11	118.7779	0.572	11	119.8188	4.239	22	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.3040	0.000	1	119.7454	4.205	5	119.8188	4.239	22	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,6|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.6058	0.820	4	119.7454	4.205	5	119.8188	4.239	22	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N){3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.8960	0.000	1	123.8960	0.000	1	119.8188	4.239	22	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.0715	0.144	2	122.0715	0.021	2	119.8188	4.239	22	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.9170	0.000	1	124.9170	0.000	1	119.8188	4.239	22	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]O[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.8865	0.121	2	118.8865	0.015	2	119.8188	4.239	22	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NCH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NCH){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.5270	0.000	1	122.5270	0.000	1	124.6043	2.172	4	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NOO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	125.0560	0.000	1	125.0560	0.000	1	124.6043	2.172	4	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(NCH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(NCH){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	125.4170	0.822	2	125.4170	0.675	2	124.6043	2.172	4	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(PHH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(PHH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.8290	0.000	1	122.8290	0.000	1	122.8290	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(SC[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(SC[6a]O){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.1840	0.000	1	124.1840	0.000	1	124.1840	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(CC[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(CC[6a]O){1|O<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.9800	0.000	1	121.9800	0.000	1	121.9800	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[4a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[4a]C[4a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[4a]C[4a]2)(C[6a]C[6a]O)2{2|C<3>,2|H<1>,2|O<1>}	O(C[6a]C[6a]2)(H)	122.5539	0.304	8	122.5539	0.092	8	122.5539	0.092	8	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.7632	0.270	5	119.7632	0.073	5	120.3121	1.466	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.4200	0.000	1	121.4200	0.000	1	120.3121	1.466	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.3065	0.592	2	122.3065	0.350	2	120.3121	1.466	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(H)	116.9890	0.000	1	116.9890	0.000	1	120.3121	1.466	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CHO){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.2120	0.000	1	121.2120	0.000	1	120.3121	1.466	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.6071	0.309	7	120.6071	0.096	7	120.3121	1.466	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCH){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	119.3145	0.158	2	119.3145	0.025	2	120.3121	1.466	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.1350	0.000	1	122.1350	0.000	1	120.3135	6.636	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.4920	0.000	1	118.4920	0.000	1	120.3135	6.636	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH)	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.0770	0.000	1	122.0770	0.000	1	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OH)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OH){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|Br<1>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.0900	0.000	1	118.0900	0.000	1	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.1720	0.000	1	119.8915	14.791	2	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	122.6110	0.000	1	119.8915	14.791	2	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6a]C[6a]2)(H)	116.6660	0.000	1	116.6660	0.000	1	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	122.5560	0.000	1	120.6103	6.667	7	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(H)	119.6770	0.000	1	120.6103	6.667	7	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	122.7825	0.213	2	120.6103	6.667	7	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.1150	0.000	1	120.6103	6.667	7	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	117.1795	0.237	2	120.6103	6.667	7	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	121.9347	0.501	3	121.8686	0.134	5	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	121.7310	0.000	1	121.8686	0.134	5	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	121.8080	0.000	1	121.8686	0.134	5	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<2>,1|O<2>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.6730	0.000	1	116.6730	0.000	1	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.3590	0.000	1	120.4580	5.324	3	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.1790	0.000	1	120.4580	5.324	3	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.8360	0.000	1	120.4580	5.324	3	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.4215	0.640	2	122.4215	0.410	2	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pd)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pd)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.0320	0.000	1	117.0320	0.000	1	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.7542	1.562	5	121.7542	2.439	5	120.6526	5.378	29	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	116.5400	0.000	1	116.5400	0.000	1	116.5400	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.8545	0.310	2	122.8545	0.096	2	122.5123	0.399	3	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.8280	0.000	1	121.8280	0.000	1	122.5123	0.399	3	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	117.5800	3.025	2	117.5800	9.151	2	118.0008	2.911	9	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(H)	117.7175	1.084	4	117.7175	1.175	4	118.0008	2.911	9	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	120.9080	0.000	1	120.9080	0.000	1	118.0008	2.911	9	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	116.8090	0.000	1	116.8090	0.000	1	118.0008	2.911	9	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OH){1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.2600	0.000	1	118.2600	0.000	1	118.0008	2.911	9	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NCH){1|C<4>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.9380	0.000	2	120.9380	0.000	2	120.9380	0.000	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.8830	0.000	1	121.8830	0.000	1	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.5400	0.000	1	122.4020	1.486	2	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	123.2640	0.000	1	122.4020	1.486	2	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.4175	0.728	6	122.4175	0.530	6	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.8500	1.010	2	121.8500	1.020	2	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(OH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	121.8330	0.000	1	121.8330	0.000	1	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.0940	0.000	1	122.0940	0.000	1	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.1740	0.090	3	120.1740	0.008	3	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.8270	0.000	1	118.8270	0.000	1	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,5|C<3>}	O(C[6a]C[6a]2)(H)	122.8120	0.000	1	120.8374	0.998	7	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.5083	0.536	6	120.8374	0.998	7	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.9460	0.000	1	119.8543	0.946	3	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.3085	0.323	2	119.8543	0.946	3	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6])(OH){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	122.6513	0.470	3	122.6513	0.221	3	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.3520	0.000	1	123.3520	0.000	1	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Cl<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.3620	0.000	1	123.3620	0.000	1	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.4740	0.000	1	117.4740	0.000	1	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.5382	0.386	5	123.5382	0.149	5	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.9500	0.000	1	117.9500	0.000	1	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.9810	0.000	1	122.9810	0.000	1	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){2|C<3>,3|O<2>}	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]O)2{1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.3990	0.000	1	117.3990	0.000	1	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.3720	0.000	1	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	118.5660	0.000	1	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	121.9930	0.007	2	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	121.8940	0.151	2	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,1|S<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.3600	0.000	1	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.0370	0.000	1	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.4955	0.211	2	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.2450	0.000	1	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.5374	0.256	5	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.8080	0.000	1	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.8380	0.134	2	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.2480	0.606	24	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.1200	0.000	1	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.6262	0.756	4	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.0700	0.000	1	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.6190	0.000	1	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	118.2330	0.000	1	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.0610	0.000	1	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.3470	0.013	2	121.6254	2.981	54	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.9300	0.000	1	117.9300	0.000	1	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.5200	0.000	1	117.5200	0.000	1	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|N<2>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.3533	0.988	3	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	121.4870	0.000	2	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	121.9100	0.000	1	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.0070	0.016	2	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.5968	2.468	5	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.9700	0.000	1	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.6690	0.000	1	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.5535	0.612	2	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.4850	0.099	4	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.7795	3.656	2	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.1099	3.056	11	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.1390	0.742	4	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.9453	2.479	6	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	121.9198	0.807	11	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.7589	0.320	8	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.7930	0.000	1	121.2126	5.146	64	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.0975	0.247	6	122.0975	0.061	6	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|I<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.8745	0.251	2	122.6422	0.157	9	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.8730	0.297	2	122.6422	0.157	9	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.7120	0.329	3	122.6422	0.157	9	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.0745	0.114	2	122.6422	0.157	9	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]O)2{2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.1967	1.585	3	123.1967	2.512	3	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.5808	0.264	6	122.5772	0.195	32	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.0325	0.745	2	122.5772	0.195	32	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.5545	0.303	2	122.5772	0.195	32	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.8800	0.331	2	122.5772	0.195	32	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.7355	0.498	4	122.5772	0.195	32	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|I<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.1870	0.000	1	122.5772	0.195	32	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.7742	0.338	4	122.5772	0.195	32	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.1170	0.000	1	122.5772	0.195	32	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.6306	0.646	5	122.5772	0.195	32	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.1330	0.000	1	122.5772	0.195	32	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.3650	0.392	3	122.5772	0.195	32	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.3270	0.000	1	122.5772	0.195	32	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	119.2096	0.275	5	119.2096	0.076	5	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.2340	0.000	1	122.7046	1.421	15	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	123.1913	0.411	3	122.7046	1.421	15	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.1350	0.434	2	122.7046	1.421	15	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.0020	0.454	2	122.7046	1.421	15	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.2124	0.491	7	122.7046	1.421	15	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.9360	0.000	1	123.0295	0.312	4	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.0607	0.680	3	123.0295	0.312	4	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])2(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])2(OH){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.2980	3.407	2	119.2980	11.607	2	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])2(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])2(OH){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(H)	122.2150	0.000	1	120.3659	1.683	7	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])2(OH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])2(OH){1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.0577	1.105	6	120.3659	1.683	7	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])2(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])2(OH){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.1180	0.000	1	119.7680	3.860	7	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])2(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])2(OH){1|C<3>,2|H<1>,2|N<2>,2|S<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.9920	3.224	2	119.7680	3.860	7	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])2(OH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])2(OH){1|C<3>,2|H<1>,2|N<2>,2|S<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.0685	1.787	4	119.7680	3.860	7	121.5907	3.500	251	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|O<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.6650	0.000	1	119.6650	0.000	1	119.6650	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.8310	0.000	1	120.8310	0.000	1	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.6450	0.000	1	121.6450	0.000	1	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(COO){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.5050	0.000	1	116.5050	0.000	1	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(CHO){1|C<3>,1|O<2>,4|C<4>}	O(C[6a]C[6a]2)(H)	120.1485	0.337	2	120.1485	0.114	2	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO){1|C<4>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	115.2390	0.000	1	115.2390	0.000	1	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	120.2125	0.459	2	120.2125	0.211	2	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.2710	0.653	7	120.2710	0.426	7	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.8050	0.000	1	116.8050	0.000	1	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	120.5410	0.000	1	120.5410	0.000	1	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(COO){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	123.3120	0.000	1	123.3120	0.000	1	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CHO){1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.6150	0.000	1	122.6150	0.000	1	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.5085	0.100	2	121.5085	0.010	2	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.2980	0.649	2	121.2980	0.421	2	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.8170	0.000	1	120.8170	0.000	1	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO){1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.1505	0.390	4	122.1505	0.152	4	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(COO){2|C<3>,3|O<2>}	O(C[6a]C[6a]2)(H)	125.1700	0.000	1	125.1700	0.000	1	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)2(OH)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	120.1610	0.412	2	120.1610	0.169	2	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)2(OH)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CHO){1|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	119.6340	0.000	1	119.6340	0.000	1	120.6334	3.624	32	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O[6a])(C[6a]C[6a]O){1|O<1>,2|C<4>,5|C<3>}	O(C[6a]C[6a]2)(H)	123.2030	0.000	1	123.2030	0.000	1	121.8544	0.767	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	121.6310	0.805	2	121.6310	0.648	2	121.8544	0.767	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<3>,3|H<1>,4|C<4>}	O(C[6a]C[6a]2)(H)	121.6210	0.000	1	121.4035	0.095	2	121.8544	0.767	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	121.1860	0.000	1	121.4035	0.095	2	121.8544	0.767	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	124.3000	0.000	1	124.3000	0.000	1	124.7400	0.387	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(H)	125.1800	0.000	1	125.1800	0.000	1	124.7400	0.387	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6])(OH){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|N<3>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.4920	0.465	3	117.4920	0.216	3	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|N<3>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.6030	0.000	1	116.6030	0.000	1	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,5|C<3>}	O(C[6a]C[6a]2)(H)	121.1340	0.000	1	121.1340	0.000	1	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.2890	0.000	1	118.4125	0.031	2	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.5360	0.000	1	118.4125	0.031	2	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.7530	0.000	1	119.7891	2.417	7	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	120.2590	0.182	2	119.7891	2.417	7	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.8133	0.692	4	119.7891	2.417	7	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	119.6380	0.092	2	120.3986	3.041	12	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.5493	0.540	3	120.3986	3.041	12	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.5195	0.402	2	120.3986	3.041	12	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.7700	0.000	1	120.3986	3.041	12	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.3900	0.000	1	120.3986	3.041	12	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ga<6>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	123.2200	0.377	3	120.3986	3.041	12	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.0230	0.000	1	122.0230	0.000	1	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(OH)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.9400	0.000	1	118.9400	0.000	1	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(H)	119.0215	1.356	2	119.0215	1.837	2	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){2|O<2>,3|C<3>}	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.1820	0.000	1	117.1820	0.000	1	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.8090	0.000	1	120.8090	0.000	1	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])2(OH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])2(OH){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	120.5795	5.793	2	120.5795	33.563	2	119.6618	4.100	34	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	122.5280	0.407	2	122.5280	0.166	2	122.5280	0.166	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	120.4622	2.990	4	120.4622	8.939	4	120.4622	8.939	4	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O){1|H<1>,1|O<1>,7|C<3>}	O(C[6a]C[6a]2)(H)	120.9720	0.000	1	120.9720	0.000	1	120.6330	5.503	9	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]O){2|H<1>,7|C<3>}	O(C[6a]C[6a]2)(H)	117.2520	0.000	1	117.2520	0.000	1	120.6330	5.503	9	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O){1|Ti<9>,1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	123.5285	0.214	2	121.0676	5.192	7	120.6330	5.503	9	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	120.0832	1.881	5	121.0676	5.192	7	120.6330	5.503	9	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|Br<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.1905	0.327	2	123.1303	0.064	3	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|Br<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.0100	0.000	1	123.1303	0.064	3	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.4517	0.145	3	121.4517	0.021	3	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(COO){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.9070	0.000	1	123.9070	0.000	1	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCO){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.0130	0.328	2	121.0130	0.108	2	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.2210	0.139	2	119.2210	0.019	2	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.3660	0.000	1	117.3660	0.000	1	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.2643	0.774	6	118.2643	0.599	6	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.7695	0.311	4	122.7695	0.096	4	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.2160	0.000	1	123.2160	0.000	1	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]N)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]N){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.5855	0.841	2	117.5855	0.707	2	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|Br<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.8580	0.000	1	122.8548	3.791	12	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	123.2179	0.458	7	122.8548	3.791	12	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.7185	0.440	4	122.8548	3.791	12	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.6197	0.605	130	122.6197	0.365	130	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.2583	1.146	3	122.2583	1.314	3	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCO){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.0580	0.000	1	121.0580	0.000	1	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.9555	0.121	2	116.9555	0.015	2	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.5530	0.750	2	121.5530	0.562	2	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.2392	0.386	4	123.3417	0.157	7	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.4783	0.446	3	123.3417	0.157	7	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.3650	0.000	1	122.3650	0.000	1	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(OH){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.1230	0.000	1	123.1230	0.000	1	122.2994	2.075	184	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,8|C<3>}	O(C[6a]C[6a]2)(H)	117.3225	0.913	2	119.6145	5.927	12	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,7|C<3>}	O(C[6a]C[6a]2)(H)	122.1150	0.226	2	119.6145	5.927	12	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(H)	118.6047	1.961	6	119.6145	5.927	12	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,8|C<3>}	O(C[6a]C[6a]2)(H)	122.4355	0.185	2	119.6145	5.927	12	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(H)	124.2337	0.728	3	124.2337	0.530	3	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(H)	118.2699	0.385	8	118.4100	0.245	15	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(H)	118.5701	0.586	7	118.4100	0.245	15	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(H)	117.8020	0.532	5	118.3700	2.807	7	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(H)	119.7900	3.172	2	118.3700	2.807	7	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(H)	117.8255	0.636	2	117.8255	0.404	2	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OH){1|F<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|F<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	119.2845	0.025	2	122.0072	9.887	4	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|F<1>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(H)	124.7300	0.081	2	122.0072	9.887	4	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	122.9655	0.551	2	122.9655	0.303	2	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<2>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(H)	119.7930	2.649	2	120.4892	6.647	137	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	124.2040	0.000	1	120.4892	6.647	137	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	123.3880	0.000	1	120.4892	6.647	137	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	120.5260	2.585	125	120.4892	6.647	137	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|P<4>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	118.0820	0.184	2	120.4892	6.647	137	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){3|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	119.6563	2.430	6	120.4892	6.647	137	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Br<1>,1|N<3>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	118.0800	0.000	1	120.7144	5.021	9	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	122.4780	0.000	1	120.7144	5.021	9	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	117.4590	0.000	1	120.7144	5.021	9	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	124.0600	0.000	1	120.7144	5.021	9	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){4|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	120.8706	1.432	5	120.7144	5.021	9	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(H)	118.5890	0.451	2	118.5890	0.204	2	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(OH){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(H)	126.0140	0.217	3	126.0140	0.047	3	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,2|O<2>,6|C<3>}	O(C[6a]C[6a]2)(H)	122.3715	0.712	2	122.3715	0.507	2	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	O(C[6a]C[6a]2)(H)	122.8430	3.366	2	122.8430	11.329	2	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,1|P<4>,6|C<3>}	O(C[6a]C[6a]2)(H)	120.1941	2.621	8	120.1941	6.867	8	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|Si<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(H)	121.7655	0.251	2	121.7655	0.063	2	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	121.0860	0.000	1	121.0860	0.000	1	120.4156	6.786	211	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.0030	2.475	2	120.0030	6.125	2	121.0771	9.084	11	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Br)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){1|Br<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	124.7310	0.000	1	124.7310	0.000	1	121.0771	9.084	11	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.0550	2.905	4	122.0550	8.437	4	121.0771	9.084	11	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|S<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.5950	0.000	1	118.5950	0.000	1	121.0771	9.084	11	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NIrN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NIrN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.1820	0.000	1	118.1820	0.000	1	121.0771	9.084	11	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NReN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NReN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	124.6190	0.000	1	124.6190	0.000	1	121.0771	9.084	11	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NRhN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NRhN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.4950	0.000	1	117.4950	0.000	1	121.0771	9.084	11	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH)	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	O(C[6a]C[6a]2)(H)	122.0266	0.559	5	122.0266	0.313	5	122.0266	0.313	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.8575	0.021	2	119.8575	0.000	2	118.7933	1.742	4	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[4,5]C[6a])(C[5a]N[5a]S[5a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[4,5]C[6a])(C[5a]N[5a]S[5a])(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.7290	0.833	2	117.7290	0.694	2	118.7933	1.742	4	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(H)	117.0290	0.000	1	117.0290	0.000	1	117.0290	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.8800	0.000	1	121.8800	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.2940	0.000	1	122.2940	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.3885	0.513	2	122.3885	0.263	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.6020	0.083	2	121.6020	0.007	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.4800	0.000	1	120.4800	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(COO){3|C<3>}	O(C[6a]C[6a]2)(H)	121.5870	0.000	1	121.5870	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.3380	0.000	1	117.3380	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.5270	0.668	3	120.5270	0.446	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.6330	0.000	1	120.6330	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|I<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	121.1990	0.000	1	121.1990	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.9385	0.049	2	120.9385	0.002	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.8170	0.000	1	119.3393	2.682	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.1290	0.000	1	119.3393	2.682	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.0720	0.000	1	119.3393	2.682	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.3670	0.000	1	122.3670	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.6896	1.797	5	119.6896	3.229	5	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.4008	0.466	5	118.4008	0.217	5	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.1935	0.039	2	121.1935	0.002	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.3070	0.000	1	116.3070	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.7540	0.000	1	121.7540	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.2030	0.000	1	121.5130	0.192	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.8230	0.000	1	121.5130	0.192	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.1070	0.000	1	122.1495	0.004	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.1920	0.000	1	122.1495	0.004	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.1520	0.000	1	118.1520	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.3850	0.000	1	120.3850	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.9510	0.000	1	119.9510	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OH){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){1|Br<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.5920	1.252	2	120.5920	1.566	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.5475	0.455	76	119.5475	0.207	76	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	O(C[6a]C[6a]2)(H)	119.1920	0.441	2	119.1920	0.195	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHO){3|C<3>}	O(C[6a]C[6a]2)(H)	120.1040	0.361	2	120.1040	0.130	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){3|C<3>}	O(C[6a]C[6a]2)(H)	120.6503	0.457	3	120.6503	0.208	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.9345	0.518	2	120.9345	0.269	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.0170	0.000	1	122.0170	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.1686	1.647	28	120.1686	2.712	28	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CN[5]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CN[5]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.3380	0.000	1	121.3380	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.1796	0.722	31	121.1796	0.521	31	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.9380	0.000	1	121.9380	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.9140	0.000	1	119.9140	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|I<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.0280	0.000	1	120.0280	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHO){5|C<3>}	O(C[6a]C[6a]2)(H)	121.9840	0.000	1	121.9840	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.2605	0.018	2	122.2605	0.000	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.4630	0.000	1	120.7250	0.137	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	O(C[6a]C[6a]2)(H)	120.9870	0.000	1	120.7250	0.137	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.3095	0.446	2	121.3095	0.199	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.1740	0.000	1	122.1740	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(COO){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.2854	2.532	7	118.2854	6.410	7	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.9020	0.000	1	122.9020	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	116.9100	0.000	1	116.9100	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.8310	0.000	1	122.8310	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	122.4079	0.628	9	122.3871	0.395	89	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.0143	0.258	3	122.3871	0.395	89	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.5795	0.173	2	122.3871	0.395	89	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.4647	0.639	30	122.3871	0.395	89	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.3919	0.635	45	122.3871	0.395	89	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	122.3580	0.000	1	122.3020	0.877	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.0180	0.000	1	122.3020	0.877	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.4160	1.588	2	122.3020	0.877	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	122.8147	0.304	6	122.8147	0.092	6	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.9430	0.000	1	123.0830	0.366	5	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.8680	0.424	4	123.0830	0.366	5	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.2160	0.000	1	122.2160	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.0980	0.000	1	121.0980	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CNO){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(H)	123.4660	0.000	1	123.4660	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(H)	123.6350	0.530	4	123.6350	0.281	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.8751	0.521	16	122.9214	0.291	17	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(H)	123.6620	0.000	1	122.9214	0.291	17	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	124.4700	0.000	1	124.4700	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(COO){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.5090	0.000	1	123.5090	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CNO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.2950	0.000	1	117.2950	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.9840	0.000	1	122.5383	0.274	10	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.9010	0.000	1	122.5383	0.274	10	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.4373	0.542	8	122.5383	0.274	10	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.2980	0.000	1	118.2980	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.0100	0.000	1	118.6129	6.706	10	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.5830	0.000	1	118.6129	6.706	10	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.4878	2.448	4	118.6129	6.706	10	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.4090	0.219	2	118.6129	6.706	10	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.3835	0.182	2	118.6129	6.706	10	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[3]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[3]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.0068	0.428	4	122.0068	0.183	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.4357	3.389	4	122.4357	11.482	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.0203	0.954	3	122.6075	1.289	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.3690	0.000	1	122.6075	1.289	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.3250	0.631	2	117.3250	0.398	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.0870	0.416	3	122.5808	0.387	42	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.5844	0.389	17	122.5808	0.387	42	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.4680	0.696	4	122.5808	0.387	42	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.6860	0.000	1	122.5808	0.387	42	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.6010	0.008	2	122.5808	0.387	42	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.3218	0.810	13	122.5808	0.387	42	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.6275	0.066	2	122.5808	0.387	42	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.6260	0.000	1	122.6260	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.3197	0.547	4	122.0855	0.321	6	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.6170	0.223	2	122.0855	0.321	6	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(H)	117.3430	0.000	1	117.3430	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.6690	0.000	1	121.6690	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.0970	0.000	1	121.0970	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.9220	0.000	1	120.3100	22.957	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.6980	0.000	1	120.3100	22.957	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.1970	0.000	1	117.8060	1.283	51	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.8820	0.000	1	117.8060	1.283	51	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.6408	1.001	5	117.8060	1.283	51	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.6112	0.674	4	117.8060	1.283	51	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.3950	0.000	1	117.8060	1.283	51	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	117.7211	0.842	9	117.8060	1.283	51	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.6417	1.342	3	117.8060	1.283	51	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.7818	1.045	26	117.8060	1.283	51	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.2400	0.000	1	117.8060	1.283	51	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.0300	0.000	1	122.3776	0.733	149	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.9595	0.086	2	122.3776	0.733	149	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.9285	0.016	2	122.3776	0.733	149	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.2120	0.000	1	122.3776	0.733	149	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.2772	0.388	12	122.3776	0.733	149	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.7976	0.384	7	122.3776	0.733	149	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.2685	1.536	11	122.3776	0.733	149	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.8038	2.961	5	122.3776	0.733	149	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.3925	0.627	100	122.3776	0.733	149	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.6395	0.660	8	122.3776	0.733	149	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.5665	0.303	2	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.9920	0.610	8	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.9700	0.000	1	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.6140	0.000	1	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.5020	0.000	1	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.0795	0.077	2	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.5026	0.379	32	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.3300	0.000	1	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.4390	0.710	3	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.8850	0.337	4	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.3500	0.552	10	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.2870	1.581	2	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	122.3575	0.174	8	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.5160	0.177	2	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.2200	0.717	7	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.2433	0.564	49	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.5350	0.000	1	122.0862	0.415	134	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCP)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.3270	0.000	1	123.3270	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.8180	0.000	1	121.8180	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5,6]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5,6]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.0940	0.000	1	122.0940	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.5050	0.000	1	123.0698	13.619	34	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.4963	4.263	4	123.0698	13.619	34	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	125.5630	0.000	3	123.0698	13.619	34	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	125.0780	0.000	1	123.0698	13.619	34	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	125.1480	0.000	1	123.0698	13.619	34	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	125.5800	0.000	2	123.0698	13.619	34	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	125.4136	0.362	5	123.0698	13.619	34	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.6951	4.219	15	123.0698	13.619	34	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	125.4740	0.000	1	123.0698	13.619	34	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	124.8390	0.000	1	123.0698	13.619	34	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.2905	0.103	2	122.2905	0.011	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.8440	0.000	1	121.8440	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.7535	0.432	2	117.7535	0.187	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.0670	0.000	1	122.5237	0.602	21	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.6930	0.000	1	122.5237	0.602	21	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.5290	0.752	2	122.5237	0.602	21	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.6380	0.000	1	122.5237	0.602	21	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.9090	0.000	1	122.5237	0.602	21	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.5599	0.686	14	122.5237	0.602	21	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.7950	0.000	1	122.5237	0.602	21	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.4380	0.000	1	116.4380	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]C)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]C){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.8780	0.000	1	117.8780	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.3840	0.225	2	118.3840	0.051	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.0200	0.000	1	122.3089	0.559	8	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.3480	0.000	1	122.3089	0.559	8	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.6225	0.330	2	122.3089	0.559	8	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.4645	0.785	4	122.3089	0.559	8	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.2060	0.905	2	118.2060	0.819	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.0210	0.510	9	121.7460	2.450	39	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.8618	0.496	4	121.7460	2.450	39	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.0825	0.004	2	121.7460	2.450	39	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.1400	2.012	19	121.7460	2.450	39	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.5266	0.616	5	121.7460	2.450	39	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.9550	0.000	1	122.1822	1.083	75	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.9575	0.566	2	122.1822	1.083	75	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.8473	0.445	11	122.1822	1.083	75	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.5418	0.465	5	122.1822	1.083	75	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.7141	0.360	15	122.1822	1.083	75	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.1300	0.000	1	122.1822	1.083	75	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	122.0680	0.000	1	122.1822	1.083	75	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.8210	0.000	1	122.1822	1.083	75	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.9965	1.468	29	122.1822	1.083	75	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.6638	0.507	5	122.1822	1.083	75	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.4545	0.304	4	122.1822	1.083	75	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.2320	0.091	2	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.2972	0.284	10	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.7812	0.451	4	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.9135	0.808	2	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.5115	1.283	42	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.2023	1.072	91	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.9314	0.802	102	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.7026	0.901	51	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.6409	0.517	7	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(H)	122.1267	0.595	6	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	121.6342	0.760	8	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.0953	1.673	24	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.8250	0.522	46	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.4652	1.091	405	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.7190	0.872	78	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.6611	0.712	34	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.6720	0.000	1	121.5009	1.106	913	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.2820	0.000	1	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.4087	0.276	4	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.0055	0.211	2	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.4000	0.188	2	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.6250	0.174	4	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.0710	0.000	1	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.8588	0.429	4	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	122.9957	0.350	7	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.4600	0.000	1	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.4510	0.000	1	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.3868	1.382	5	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.7610	0.000	1	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.8748	0.360	4	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.2925	0.497	2	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.3600	0.000	1	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.1040	0.000	1	121.9234	0.896	41	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.2895	0.605	2	123.2895	0.366	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.7510	1.377	5	121.1247	2.542	199	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.2572	0.902	4	121.1247	2.542	199	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.8120	0.235	2	121.1247	2.542	199	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.0376	1.375	9	121.1247	2.542	199	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.4860	0.000	1	121.1247	2.542	199	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.6884	0.613	8	121.1247	2.542	199	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.4922	1.578	4	121.1247	2.542	199	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.4700	0.000	1	121.1247	2.542	199	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.1300	1.580	154	121.1247	2.542	199	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.6867	1.271	9	121.1247	2.542	199	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Se<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.3410	0.000	1	121.1247	2.542	199	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.0970	0.000	1	121.1247	2.542	199	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.9770	2.107	2	120.9770	4.440	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.7230	0.000	1	122.7230	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]S)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]S){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	116.4180	0.000	1	116.4180	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.0150	0.000	1	118.0150	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.0375	0.187	2	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.6060	0.000	1	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.4260	0.000	1	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.9700	0.000	1	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.1210	0.000	1	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.0697	0.555	52	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.8147	0.866	3	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	123.1990	0.000	1	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(H)	122.8740	0.506	2	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.9824	0.748	40	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.1361	0.692	14	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.5325	0.186	2	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.0438	0.942	4	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(H)	122.1240	0.902	6	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	122.4878	1.140	20	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.2260	0.987	42	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(H)	123.1917	0.628	9	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.5059	0.889	59	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	123.4300	0.645	2	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(H)	122.4550	0.659	112	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.0199	0.773	149	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.1337	0.835	19	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.1347	0.773	8	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Se<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.8440	0.000	1	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.9867	0.654	3	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.0463	1.531	8	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.3295	1.305	2	122.1852	0.826	564	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CPdN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CPdN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.1530	0.070	3	122.1530	0.005	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CPdO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CPdO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.1810	0.000	1	122.1810	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.9530	0.000	1	117.9530	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.0510	0.299	4	122.0510	0.089	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCN){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.5714	0.427	7	122.5714	0.182	7	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCO){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.1085	0.097	2	121.1085	0.009	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]O){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.6400	0.000	1	120.6400	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.1397	2.304	4	118.1397	5.308	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.4881	1.527	14	120.5230	1.697	44	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.1945	0.442	2	120.5230	1.697	44	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.5310	1.583	6	120.5230	1.697	44	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.4515	0.440	4	120.5230	1.697	44	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.2666	1.184	18	120.5230	1.697	44	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[5]H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1830	0.000	1	117.1830	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CC[6a]C)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.9510	0.000	1	120.9510	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.7200	0.003	2	120.7679	4.002	8	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.6082	1.655	4	120.7679	4.002	8	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.1350	1.136	2	120.7679	4.002	8	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.2077	0.447	6	120.2858	3.055	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.5944	2.063	8	120.2858	3.055	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.7480	0.000	1	120.7480	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.8680	0.000	1	120.8680	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.9560	1.741	2	121.1777	1.576	91	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.0170	0.006	2	121.1777	1.576	91	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.2087	1.235	74	121.1777	1.576	91	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.4810	0.000	1	121.1777	1.576	91	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.2793	0.613	10	121.1777	1.576	91	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.7535	2.050	2	121.1777	1.576	91	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|I<1>}	O(C[6a]C[6a]2)(H)	126.0160	0.000	1	126.0160	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|I<1>}	O(C[6a]C[6a]2)(H)	122.0072	0.626	29	122.0072	0.392	29	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|I<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.6030	0.000	1	122.6030	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|I<1>}	O(C[6a]C[6a]2)(H)	121.7055	0.046	2	121.7055	0.002	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(H)	121.0910	0.000	1	121.0910	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	117.2550	0.000	1	117.2550	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.3050	0.290	2	119.4908	3.328	5	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	117.5930	0.058	2	119.4908	3.328	5	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.6580	0.000	1	119.4908	3.328	5	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.4580	0.000	1	120.4580	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.5290	0.000	1	120.2082	3.765	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.4347	2.311	3	120.2082	3.765	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.3700	0.000	1	121.0919	1.133	27	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.7680	1.670	3	121.0919	1.133	27	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(H)	123.5690	0.000	1	121.0919	1.133	27	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(H)	120.8290	0.793	22	121.0919	1.133	27	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.0200	0.062	2	119.0200	0.004	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	121.8470	0.000	1	121.8470	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.8097	0.503	8	122.8097	0.253	8	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.7040	0.107	2	122.7040	0.012	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.9990	0.000	1	119.8195	4.718	11	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.5910	0.000	1	119.8195	4.718	11	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.3829	2.172	8	119.8195	4.718	11	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.3620	0.000	1	119.8195	4.718	11	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.3665	0.471	4	122.5922	0.421	5	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	123.4950	0.000	1	122.5922	0.421	5	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.9020	0.000	1	118.9020	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.6545	0.206	2	122.6545	0.042	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.7165	0.590	2	122.7165	0.349	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.1029	1.435	8	122.3695	1.254	263	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.8041	1.702	7	122.3695	1.254	263	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.5380	0.000	1	122.3695	1.254	263	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.4166	1.016	238	122.3695	1.254	263	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.0745	0.206	2	122.3695	1.254	263	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.2305	0.217	2	122.3695	1.254	263	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.8824	2.975	5	122.3695	1.254	263	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.0755	1.097	2	122.0994	1.220	19	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.6670	0.037	2	122.0994	1.220	19	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.7263	1.853	3	122.0994	1.220	19	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.2985	0.332	8	122.0994	1.220	19	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.2090	1.788	4	122.0994	1.220	19	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.6454	1.873	5	122.4395	2.929	11	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.1013	1.376	6	122.4395	2.929	11	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.6230	0.376	2	123.5481	0.775	26	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.4813	0.896	22	123.5481	0.775	26	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	124.2080	1.174	2	123.5481	0.775	26	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	123.1093	0.353	4	123.1093	0.124	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	121.4690	0.000	1	121.4690	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(H)	122.2680	0.000	1	122.2700	0.000	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|S<2>}	O(C[6a]C[6a]2)(H)	122.2720	0.000	1	122.2700	0.000	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(COO){1|S<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.2845	0.220	2	122.2845	0.048	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	122.8844	0.544	5	122.8844	0.296	5	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(H)	122.0337	0.502	4	122.0337	0.252	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO){5|C<3>}	O(C[6a]C[6a]2)(H)	117.3465	0.370	2	117.3465	0.137	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCC){3|C<3>}	O(C[6a]C[6a]2)(H)	115.7790	0.000	1	115.7790	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.7400	0.547	2	120.7400	0.300	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.1400	0.000	1	121.6030	0.660	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.7170	0.000	1	121.6030	0.660	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.2775	0.264	2	121.6030	0.660	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.2510	0.000	1	121.3416	5.075	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.1860	0.257	2	121.3416	5.075	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.4060	0.000	1	121.3416	5.075	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.2655	0.549	2	121.3416	5.075	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.3620	0.000	1	121.3416	5.075	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){3|C<3>}	O(C[6a]C[6a]2)(H)	121.6740	0.000	1	121.3416	5.075	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.4533	0.428	3	121.3416	5.075	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){3|C<3>}	O(C[6a]C[6a]2)(H)	117.7940	0.471	2	121.3416	5.075	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.2390	0.000	1	121.3416	5.075	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.9893	0.876	3	121.9893	0.768	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.3240	0.006	2	120.2788	1.708	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.6710	0.150	2	120.2788	1.708	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.1530	0.322	2	120.2788	1.708	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.1997	1.798	4	120.2788	1.708	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.7020	1.481	4	120.2788	1.708	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.6400	0.263	2	121.6400	0.069	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.8413	1.038	3	121.8413	1.078	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.1680	2.596	2	120.1680	6.742	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.3860	2.851	2	120.3860	8.129	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	116.8730	0.190	2	120.1796	1.840	283	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.1211	1.270	12	120.1796	1.840	283	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	119.5170	0.000	1	120.1796	1.840	283	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.3777	1.457	59	120.1796	1.840	283	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.1323	0.181	3	120.1796	1.840	283	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.0940	0.926	71	120.1796	1.840	283	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.3291	1.527	81	120.1796	1.840	283	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	121.5130	1.882	2	120.1796	1.840	283	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.9198	1.201	12	120.1796	1.840	283	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|F<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.9804	1.107	12	120.1796	1.840	283	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.2800	0.000	1	120.1796	1.840	283	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.2562	1.416	15	120.1796	1.840	283	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	O(C[6a]C[6a]2)(H)	119.6786	1.702	12	120.1796	1.840	283	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.2995	2.570	2	120.2274	2.113	33	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	119.4310	0.431	2	120.2274	2.113	33	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.4177	0.500	4	120.2274	2.113	33	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.2274	1.561	11	120.2274	2.113	33	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.9390	1.515	10	120.2274	2.113	33	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	120.2075	1.119	2	120.2274	2.113	33	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.0330	2.434	2	120.2274	2.113	33	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.3940	0.000	1	120.3940	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.1183	0.328	10	121.7468	0.459	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.8180	0.234	4	121.7468	0.459	14	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.1413	0.786	3	122.0703	0.551	12	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.3550	0.245	4	122.0703	0.551	12	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.9120	0.000	1	122.0703	0.551	12	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){3|C<3>}	O(C[6a]C[6a]2)(H)	122.7720	0.444	4	122.0703	0.551	12	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.6240	0.000	1	122.6240	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<4>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(COO){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	121.2960	0.000	1	121.2960	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.7070	0.000	1	119.5817	1.902	28	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.0630	0.115	2	119.5817	1.902	28	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.8997	1.116	6	119.5817	1.902	28	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.6710	2.075	10	119.5817	1.902	28	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.6727	0.834	3	119.5817	1.902	28	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){3|C<3>}	O(C[6a]C[6a]2)(H)	119.0548	0.395	6	119.5817	1.902	28	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[5]H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.0940	0.000	1	117.0940	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CHN){3|C<3>}	O(C[6a]C[6a]2)(H)	119.0344	1.997	19	119.0344	3.987	19	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.5050	0.000	1	117.5623	3.182	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.5910	0.120	2	117.5623	3.182	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.0900	0.530	2	121.0900	0.281	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|N<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.0840	0.000	1	121.0840	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.6340	0.223	2	117.6340	0.050	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO){1|Cl<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.8400	0.000	1	122.8400	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.5595	0.135	2	122.4483	0.046	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<2>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.2260	0.000	1	122.4483	0.046	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(COO){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	123.9873	0.109	3	123.9873	0.012	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.0520	0.000	1	122.8515	0.355	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	123.1180	0.327	3	122.8515	0.355	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.3670	0.000	1	122.3670	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]O){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.6063	1.998	4	121.6063	3.992	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	123.0050	0.000	1	123.0050	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	123.0065	1.169	2	123.0065	1.366	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	122.6555	0.391	4	122.4734	0.393	76	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.3674	0.594	26	122.4734	0.393	76	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.5175	0.661	46	122.4734	0.393	76	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,1|C<3>,1|F<1>}	O(C[6a]C[6a]2)(H)	122.4110	0.000	1	122.8173	0.201	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	123.0205	0.394	2	122.8173	0.201	3	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	121.8560	1.297	10	121.8560	1.683	10	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.9160	0.000	1	122.9160	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	118.0650	0.000	1	118.0650	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	118.0090	0.000	1	118.0090	0.000	1	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Se<1>,1|Se<2>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.5580	0.000	1	122.3975	0.052	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Se<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.2370	0.000	1	122.3975	0.052	2	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Si<4>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	120.3247	0.571	4	120.3247	0.327	4	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH){2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|Br<1>,1|Se<2>,1|N<2>}	O(C[6a]C[6a]2)(H)	123.8730	1.142	6	123.8730	1.305	6	121.5211	2.389	3879	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.6880	0.000	1	123.6880	0.000	1	123.6880	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.2985	4.235	2	120.0563	11.976	9	120.1418	9.470	13	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.7270	0.482	2	120.0563	11.976	9	120.1418	9.470	13	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(H)	123.7740	0.000	1	120.0563	11.976	9	120.1418	9.470	13	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.1550	0.000	1	120.0563	11.976	9	120.1418	9.470	13	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.6840	0.000	1	120.0563	11.976	9	120.1418	9.470	13	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.4215	0.163	2	120.0563	11.976	9	120.1418	9.470	13	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.0980	0.000	1	120.3340	5.875	4	120.1418	9.470	13	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.8150	0.000	1	120.3340	5.875	4	120.1418	9.470	13	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.7115	0.433	2	120.3340	5.875	4	120.1418	9.470	13	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.1657	0.675	3	117.1657	0.456	3	119.9416	6.372	16	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.2400	0.000	1	117.2400	0.000	1	119.9416	6.372	16	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.9423	0.227	4	121.2898	1.926	9	119.9416	6.372	16	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	118.3610	0.000	1	121.2898	1.926	9	119.9416	6.372	16	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|O<1>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	121.9990	0.308	3	121.2898	1.926	9	119.9416	6.372	16	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	119.4810	0.000	1	121.2898	1.926	9	119.9416	6.372	16	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){2|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(H)	124.1950	0.000	1	119.5733	16.037	3	119.9416	6.372	16	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.2625	0.186	2	119.5733	16.037	3	119.9416	6.372	16	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	115.8060	0.000	1	115.8060	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(H)	120.9813	1.789	4	120.2428	5.604	6	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.7660	3.446	2	120.2428	5.604	6	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	121.5815	1.284	4	121.5815	1.649	4	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OH){1|Si<4>,4|C<3>}	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.9420	0.000	1	116.9420	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(OH){1|Si<4>,1|S<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]O){1|Si<4>,2|F<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	113.7210	0.000	1	113.7210	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OH){1|C<4>,4|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.7460	0.000	1	116.7460	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.7340	3.756	2	119.7340	14.109	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	118.6870	0.000	1	118.6870	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,5|C<3>}	O(C[6a]C[6a]2)(H)	115.1170	0.000	1	118.9694	8.236	10	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|N<3>,5|C<3>}	O(C[6a]C[6a]2)(H)	115.4190	0.000	1	118.9694	8.236	10	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(H)	121.6310	0.428	4	118.9694	8.236	10	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	118.1585	2.248	4	118.9694	8.236	10	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	121.5020	0.113	2	121.5020	0.013	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.4160	0.659	2	118.4160	0.434	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	121.7125	0.653	2	121.7125	0.426	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.9870	0.000	1	117.8922	4.236	4	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	119.3260	0.000	1	117.8922	4.236	4	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.1280	0.201	2	117.8922	4.236	4	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.9900	0.000	1	119.3741	4.513	13	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	115.8620	0.000	1	119.3741	4.513	13	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	117.5780	0.000	1	119.3741	4.513	13	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.0400	0.000	1	119.3741	4.513	13	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.9015	0.576	2	119.3741	4.513	13	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	120.4777	2.321	3	119.3741	4.513	13	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.8850	0.000	1	119.3741	4.513	13	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.7310	0.000	1	119.3741	4.513	13	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	118.1660	0.000	1	119.3741	4.513	13	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.3750	0.000	1	119.3741	4.513	13	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.9355	0.765	6	120.9355	0.585	6	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.5686	2.621	9	120.5686	6.872	9	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	125.2210	0.000	1	125.2210	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.1000	0.000	1	117.4580	0.256	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.8160	0.000	1	117.4580	0.256	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	121.0640	0.000	1	121.8245	1.157	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.5850	0.000	1	121.8245	1.157	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|Br<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.8150	0.000	1	116.8150	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.0310	0.000	1	122.0310	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.9160	0.000	1	119.7505	16.069	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.5850	0.000	1	119.7505	16.069	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.0555	4.717	2	119.5025	12.134	4	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)2{3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.9495	3.596	2	119.5025	12.134	4	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|Br<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|Br<1>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.9410	0.000	1	117.4985	1.001	4	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.6430	0.000	1	117.4985	1.001	4	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.2050	0.129	2	117.4985	1.001	4	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.1428	0.347	4	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	118.2655	0.317	2	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.3890	0.000	1	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.9860	0.000	1	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	116.7540	0.116	2	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.5440	0.000	1	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.5530	0.000	1	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.7674	1.829	5	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	123.2380	0.000	1	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	119.4046	2.818	12	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.4010	3.301	2	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	117.9500	0.000	1	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.8200	0.000	1	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.9580	0.000	1	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.2960	0.000	1	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.3330	0.000	1	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.6827	1.065	3	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	120.0501	2.721	30	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|P<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.3440	0.279	2	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	121.9815	1.077	2	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|F<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.3480	0.000	1	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	117.1720	0.000	1	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	117.2677	0.521	20	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.4190	0.000	1	119.0584	5.792	97	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P){1|O<2>,1|P<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.5095	0.081	2	116.5095	0.007	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.8545	4.528	2	118.0437	12.222	3	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.4220	0.000	1	118.0437	12.222	3	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(H)	122.2130	0.635	2	119.1777	7.609	23	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	118.7492	2.701	20	119.1777	7.609	23	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	121.6770	0.000	1	119.1777	7.609	23	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.8650	0.000	1	122.8650	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.4640	0.000	1	122.2597	2.559	28	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.7420	0.000	1	122.2597	2.559	28	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.7200	0.608	6	122.2597	2.559	28	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.3890	0.000	1	122.2597	2.559	28	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.5130	0.989	3	122.2597	2.559	28	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.1550	0.000	1	122.2597	2.559	28	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.0595	4.127	2	122.2597	2.559	28	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.7930	0.000	1	122.2597	2.559	28	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.5626	0.448	12	122.2597	2.559	28	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]O[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.1850	0.000	1	123.1850	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.6570	0.393	2	123.7543	0.106	3	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.9490	0.000	1	123.7543	0.106	3	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	120.0685	4.178	2	120.0685	17.458	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.9505	0.110	2	117.0683	0.048	3	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.3040	0.000	1	117.0683	0.048	3	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	123.7200	0.000	1	123.7200	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.6190	0.000	1	119.9605	0.233	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.3020	0.000	1	119.9605	0.233	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|Cl<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.2280	0.064	2	118.7905	0.874	6	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.6260	0.000	1	118.7905	0.874	6	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.2203	1.074	3	118.7905	0.874	6	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.6290	0.000	1	118.6290	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.8810	0.000	1	123.8810	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.8890	0.000	1	122.8890	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.1130	0.000	1	120.1130	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(H)	116.9940	0.000	1	116.9940	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	116.9467	0.232	3	119.0666	6.284	30	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.8110	0.000	1	119.0666	6.284	30	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.1570	0.000	1	119.0666	6.284	30	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	120.8810	0.000	1	119.0666	6.284	30	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.8075	3.164	2	119.0666	6.284	30	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.0848	2.398	6	119.0666	6.284	30	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	119.4311	3.276	8	119.0666	6.284	30	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.6663	2.357	6	119.0666	6.284	30	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.3690	3.234	2	119.0666	6.284	30	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){2|H<1>,7|C<3>}	O(C[6a]C[6a]2)(H)	120.8510	0.330	3	120.9888	0.149	4	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){3|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	121.4020	0.000	1	120.9888	0.149	4	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	121.7090	0.000	1	121.7090	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.3430	3.848	2	119.3430	14.808	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.6050	0.000	1	123.6050	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.7460	4.231	2	119.7460	17.904	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){1|Mo<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.2200	0.000	1	121.4523	4.674	4	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.5297	0.216	3	121.4523	4.674	4	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.7782	0.185	4	116.7782	0.034	4	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){1|Br<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	123.0480	0.000	1	123.0480	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.9960	0.023	2	121.3598	2.662	6	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.4790	0.000	1	121.3598	2.662	6	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.9920	0.827	2	121.3598	2.662	6	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.7040	0.000	1	121.3598	2.662	6	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]O){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.0820	0.000	1	123.0820	0.000	1	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.7670	0.916	2	117.7670	0.840	2	119.6729	6.794	317	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	124.5806	0.276	5	124.5806	0.076	5	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.7710	0.000	1	123.7710	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.2060	0.000	1	116.2060	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	125.5200	0.027	2	125.3513	0.086	3	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){3|C<3>}	O(C[6a]C[6a]2)(H)	125.0140	0.000	1	125.3513	0.086	3	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	125.5230	0.000	1	125.5230	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.6680	0.000	1	122.6680	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	115.6870	0.000	1	119.5036	10.153	11	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	123.9365	0.626	2	119.5036	10.153	11	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.6925	2.364	6	119.5036	10.153	11	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.4125	0.005	2	119.5036	10.153	11	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]Co)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]Co){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.6120	0.000	1	121.6120	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.7290	0.000	1	118.7290	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]Mo)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]Mo){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.7440	0.214	2	120.7440	0.046	2	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.7927	0.111	4	116.7927	0.012	4	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.8495	0.197	2	122.2882	2.359	38	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.8720	1.354	3	122.2882	2.359	38	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	123.8465	2.169	2	122.2882	2.359	38	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	124.5010	1.583	3	122.2882	2.359	38	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.0856	1.000	5	122.2882	2.359	38	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.7854	1.424	22	122.2882	2.359	38	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.7350	0.000	1	122.2882	2.359	38	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NRhC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NRhC){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.1215	0.080	2	121.1215	0.006	2	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(NCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.0770	0.000	1	116.0770	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NCC){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.2890	0.479	2	119.2890	0.230	2	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	115.5510	0.423	2	115.5510	0.179	2	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	125.8600	0.000	1	125.8600	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.2574	1.851	5	120.2574	3.426	5	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.3690	0.000	1	116.3690	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	115.0290	0.000	1	115.2395	0.089	2	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	115.4500	0.000	1	115.2395	0.089	2	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	118.2200	0.000	1	121.9800	28.275	2	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	125.7400	0.000	1	121.9800	28.275	2	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.4630	0.000	1	119.7971	6.066	7	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.0915	2.612	4	119.7971	6.066	7	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.8755	0.252	2	119.7971	6.066	7	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.2215	5.252	2	116.8129	2.105	84	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.0050	0.000	1	116.8129	2.105	84	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.4970	0.000	1	116.8129	2.105	84	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.7462	1.888	17	116.8129	2.105	84	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	115.7583	1.124	4	116.8129	2.105	84	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(H)	116.5370	0.000	1	116.8129	2.105	84	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.5471	0.901	49	116.8129	2.105	84	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.5879	1.233	8	116.8129	2.105	84	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.5680	0.000	1	116.8129	2.105	84	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	117.0465	0.139	2	116.1472	0.713	5	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	115.7330	0.000	1	116.1472	0.713	5	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	115.2470	0.000	1	116.1472	0.713	5	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	115.6630	0.000	1	116.1472	0.713	5	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	114.8780	0.000	1	114.8780	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.5440	0.000	1	122.5440	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C[6])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C[6]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.7950	0.000	1	121.7950	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	114.2830	0.000	1	117.0830	15.702	3	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	115.3490	0.000	1	117.0830	15.702	3	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.6170	0.000	1	117.0830	15.702	3	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCdC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCdC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.4480	0.000	1	120.4480	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.5440	0.000	1	116.0333	0.331	10	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.4710	0.021	2	116.0333	0.331	10	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	115.2463	0.075	3	116.0333	0.331	10	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.4750	0.000	1	116.0333	0.331	10	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.2110	0.296	3	116.0333	0.331	10	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.1980	0.000	1	116.1543	0.285	6	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	115.5115	0.153	2	116.1543	0.285	6	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.7660	0.000	1	116.1543	0.285	6	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.4695	0.050	2	116.1543	0.285	6	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	115.8290	0.000	1	115.7005	0.033	2	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	115.5720	0.000	1	115.7005	0.033	2	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNiC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNiC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.5150	0.000	1	123.5150	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.9740	3.927	2	124.6079	2.828	45	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	125.2140	0.398	4	124.6079	2.828	45	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|As<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	124.4115	1.746	4	124.6079	2.828	45	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|As<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	125.3210	0.000	1	124.6079	2.828	45	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	125.2509	0.813	9	124.6079	2.828	45	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.3638	1.751	5	124.6079	2.828	45	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	125.5715	0.134	2	124.6079	2.828	45	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	125.1490	0.000	1	124.6079	2.828	45	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	124.8283	1.740	15	124.6079	2.828	45	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	124.8955	0.199	2	124.6079	2.828	45	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPtC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPtC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.5130	0.261	3	123.5130	0.068	3	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NRuC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NRuC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	118.3900	0.000	1	118.3900	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.3550	0.000	1	116.3550	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(NCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	124.2250	0.000	1	124.2250	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.2889	2.243	37	118.7992	7.018	41	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	123.9025	0.275	2	118.7992	7.018	41	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.1375	0.356	2	118.7992	7.018	41	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	126.3850	1.063	2	126.3281	0.457	7	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	126.3054	0.633	5	126.3281	0.457	7	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|S<4>}	O(C[6a]C[6a]2)(H)	124.9240	0.000	1	124.9240	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(H)	116.9360	0.000	1	116.9360	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.2815	5.305	2	120.2815	28.148	2	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.3815	3.590	2	120.7417	6.742	10	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.8317	2.604	8	120.7417	6.742	10	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	123.9270	0.000	1	122.8555	9.254	41	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.3450	1.478	2	122.8555	9.254	41	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(H)	122.8774	3.128	36	122.8555	9.254	41	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|Cl<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.4350	4.858	2	122.8555	9.254	41	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NRuN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NRuN){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.0630	0.000	1	120.0630	0.000	1	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(OH)	C[6a](C[6a]C[6a]O)2(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.8580	1.847	2	120.8571	10.615	8	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(OH)	C[6a](C[6a]C[6a]O)2(NOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(H)	120.8568	3.766	6	120.8571	10.615	8	120.2259	13.743	372	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.6030	0.124	2	121.6030	0.015	2	119.6859	4.997	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|O<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.6010	0.000	1	121.6010	0.000	1	119.6859	4.997	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.7290	0.000	1	119.3027	5.123	15	119.6859	4.997	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.3920	0.000	1	119.3027	5.123	15	119.6859	4.997	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.4500	0.000	2	119.3027	5.123	15	119.6859	4.997	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	123.9900	0.000	1	119.3027	5.123	15	119.6859	4.997	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.1470	0.000	1	119.3027	5.123	15	119.6859	4.997	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.0540	0.000	1	119.3027	5.123	15	119.6859	4.997	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.4410	0.000	1	119.3027	5.123	15	119.6859	4.997	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	O(C[6a]C[6a]2)(H)	118.0300	0.288	2	119.3027	5.123	15	119.6859	4.997	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.7654	2.056	5	119.3027	5.123	15	119.6859	4.997	18	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(OH){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	115.0707	0.244	3	115.0707	0.060	3	121.4098	12.737	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	123.7215	0.200	2	122.2627	5.677	9	121.4098	12.737	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.8459	2.579	7	122.2627	5.677	9	121.4098	12.737	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C[5])(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C[5])(OH){1|C<3>,2|N<2>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	124.0490	0.000	1	124.0490	0.000	1	121.4098	12.737	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(N[5a]C[5a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(N[5a]C[5a]2){2|Cl<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.9500	0.000	1	122.9500	0.000	1	121.4098	12.737	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<3>,2|N<2>,4|H<1>}	O(C[6a]C[6a]2)(H)	119.3630	0.000	1	119.6085	0.121	2	121.4098	12.737	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	119.8540	0.000	1	119.6085	0.121	2	121.4098	12.737	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	124.9983	1.010	3	124.9983	1.021	3	121.4098	12.737	19	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	O(C[6a]C[6a]2)(H)	117.9060	0.000	1	118.6432	5.965	10	118.6432	5.965	10	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(H)	117.3070	0.000	2	118.6432	5.965	10	118.6432	5.965	10	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	O(C[6a]C[6a]2)(H)	119.8970	0.000	2	118.6432	5.965	10	118.6432	5.965	10	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	117.0565	0.821	2	118.6432	5.965	10	118.6432	5.965	10	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	116.7480	0.000	1	118.6432	5.965	10	118.6432	5.965	10	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	124.7350	0.000	1	118.6432	5.965	10	118.6432	5.965	10	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|H<1>,2|O<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.5220	0.000	1	118.6432	5.965	10	118.6432	5.965	10	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.8595	4.771	2	120.8595	22.761	2	120.8595	22.761	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OZn2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OZn2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	115.5670	0.000	1	115.5670	0.000	1	115.5670	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.1020	0.000	1	120.1020	0.000	1	121.0992	2.221	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.6990	0.000	1	120.5657	0.144	3	121.0992	2.221	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.4990	0.511	2	120.5657	0.144	3	121.0992	2.221	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(PCC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(OH){1|C<3>,1|F<1>,1|P<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(PCC){1|C<3>,1|F<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.6970	0.000	1	123.6970	0.000	1	121.0992	2.221	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.0200	0.000	1	117.0200	0.000	1	120.4243	11.995	8	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]N)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]N){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.0620	0.000	1	116.0620	0.000	1	120.4243	11.995	8	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(SFe2)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(SFe2){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.3950	0.849	2	123.3950	0.720	2	120.4243	11.995	8	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(SMnMo)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(SMnMo){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.8805	3.373	4	120.8805	11.380	4	120.4243	11.995	8	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]O){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.8190	0.000	1	116.8190	0.000	1	116.8190	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,1|N<3>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.9440	0.000	1	119.9440	0.000	1	119.8160	0.033	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.6880	0.000	1	119.6880	0.000	1	119.8160	0.033	2	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,1|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	116.5730	0.000	1	116.5730	0.000	1	118.2776	1.147	9	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	119.7670	0.000	1	118.4906	0.844	8	118.2776	1.147	9	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.8780	0.000	1	118.4906	0.844	8	118.2776	1.147	9	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	O(C[6a]C[6a]2)(H)	117.9550	0.578	2	118.4906	0.844	8	118.2776	1.147	9	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.3425	1.022	4	118.4906	0.844	8	118.2776	1.147	9	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](N[6]B[5a,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|B<4>,2|C<3>,2|H<1>}	C[6a](N[6]B[5a,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(H)	124.1065	0.179	2	124.1065	0.032	2	123.5807	0.846	3	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.5290	0.000	1	122.5290	0.000	1	123.5807	0.846	3	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH){1|C<4>,4|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.0040	0.251	3	119.0040	0.063	3	118.8972	0.059	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.7370	0.153	2	118.7370	0.023	2	118.8972	0.059	5	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:N[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(OH)	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]O)2	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(OH){1|C<3>,2|N<3>,2|O<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]O)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	O(C[6a]C[6a]N[6a])(H)	125.5110	0.000	1	125.5110	0.000	1	125.5110	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]N[6a])(H)	127.1110	0.000	1	127.1110	0.000	1	127.1110	0.000	1	121.2533	4.227	5757	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ge-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OGe)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(GeO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OGe){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|Si<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(GeO)	122.7045	1.066	2	122.7045	1.136	2	122.7045	1.136	2	118.4208	6.912	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2)	O(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC)	115.6620	0.000	1	115.6620	0.000	1	115.6620	0.000	1	118.4208	6.912	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(NC)	115.7095	0.442	2	115.7095	0.195	2	115.7095	0.195	2	118.4208	6.912	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(NC)	117.8910	0.000	1	117.8410	0.005	2	118.3436	0.459	5	118.4208	6.912	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(NC)	117.7910	0.000	1	117.8410	0.005	2	118.3436	0.459	5	118.4208	6.912	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(NC[6])	118.6787	0.703	3	118.6787	0.494	3	118.3436	0.459	5	118.4208	6.912	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO)	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CCO)	121.0680	0.000	1	121.0680	0.000	1	121.0680	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CC[5]C)	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CC[5]C){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(COO)	121.2470	1.088	2	121.2470	1.183	2	121.1685	2.709	4	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	119.2300	0.000	1	119.2300	0.000	1	121.1685	2.709	4	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCO)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCO){4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	122.9500	0.000	1	122.9500	0.000	1	121.1685	2.709	4	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	120.7550	0.000	1	120.7550	0.000	1	116.3350	15.799	3	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC[6a]){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])2	114.1250	1.515	2	114.1250	2.294	2	116.3350	15.799	3	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NHH)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	126.8420	0.000	1	126.8420	0.000	1	126.8420	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCC)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	120.8870	0.000	1	120.8870	0.000	1	120.8870	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	116.6220	0.000	1	116.6220	0.000	1	117.7603	1.157	3	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CNO)	117.8990	0.000	1	117.8990	0.000	1	117.7603	1.157	3	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]O)	118.7600	0.000	1	118.7600	0.000	1	117.7603	1.157	3	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CC[6a]O)	116.0920	0.000	1	116.0920	0.000	1	119.5982	3.216	6	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CCC)	119.3730	0.000	1	119.3730	0.000	1	119.5982	3.216	6	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|N<3>}	O(C[6a]C[6a]2)(CCO)	120.6703	0.104	3	120.5310	0.085	4	119.5982	3.216	6	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	120.1130	0.000	1	120.5310	0.085	4	119.5982	3.216	6	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(CNS)	119.2120	0.321	3	118.9710	0.301	4	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CNS)	118.2480	0.000	1	118.9710	0.301	4	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CCO)	120.8120	0.000	1	120.8120	0.000	1	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	121.1710	0.000	1	121.2943	0.027	3	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	121.3560	0.178	2	121.2943	0.027	3	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.8490	1.229	2	119.4203	1.734	3	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	120.5630	0.000	1	119.4203	1.734	3	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CC[5a]O)	119.8770	0.000	1	119.8770	0.000	1	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.2150	0.000	1	120.0246	1.091	5	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	120.2385	0.098	2	120.0246	1.091	5	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	120.7155	0.185	2	120.0246	1.091	5	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]O)2{1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	118.5190	0.000	1	118.5190	0.000	1	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	120.7970	0.000	1	120.7970	0.000	1	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6]O)	119.1285	0.387	2	119.1285	0.150	2	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CNO)	118.1120	0.000	1	118.1120	0.000	1	119.7511	1.259	22	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2)	119.8090	0.000	1	119.8090	0.000	1	119.8090	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,1|H<1>,5|C<3>}	O(C[6a]C[6a]2)2	120.3430	0.000	1	120.3430	0.000	1	119.3802	1.109	10	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	117.8935	0.200	2	117.8935	0.040	2	119.3802	1.109	10	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)2	119.8170	0.000	1	119.5510	0.690	6	119.3802	1.109	10	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	118.0230	0.000	1	119.5510	0.690	6	119.3802	1.109	10	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)2	119.3650	0.000	1	119.5510	0.690	6	119.3802	1.109	10	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)2	120.0337	0.395	3	119.5510	0.690	6	119.3802	1.109	10	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.3660	0.000	1	120.3660	0.000	1	119.3802	1.109	10	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:In-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OIn)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(InCC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OIn){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(InCC)	126.6470	0.000	1	126.6470	0.000	1	126.6470	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(ON)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(ON){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(NCH)	115.8070	0.000	1	115.8070	0.000	1	115.8070	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OC)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]O)	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6a]2)(PC[6a]2)	118.0680	0.000	1	118.0680	0.000	1	118.8490	0.697	3	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6a]2)(PN[6]O)	119.2395	0.692	2	119.2395	0.479	2	118.8490	0.697	3	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	117.3610	0.000	1	117.3610	0.000	1	117.1614	1.701	7	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	117.7285	0.670	2	116.8954	2.133	5	117.1614	1.701	7	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	116.3400	1.699	3	116.8954	2.133	5	117.1614	1.701	7	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCO){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	118.2920	0.000	1	118.2920	0.000	1	117.1614	1.701	7	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)2	116.7540	0.480	4	116.7540	0.230	4	116.8266	0.199	5	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	117.1170	0.000	1	117.1170	0.000	1	116.8266	0.199	5	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:P[6]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(P[6]O[6]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP[6]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(P[6]O[6]2)	118.0810	0.000	1	118.0810	0.000	1	118.0810	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(BBO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(BBO)	121.1442	0.195	4	121.1442	0.038	4	119.8825	6.277	15	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(BC[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(BC[6a]O)	119.4237	2.812	11	119.4237	7.909	11	119.8825	6.277	15	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC){1|F<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|F<1>,6|C<3>}	O(C[6a]C[6a]2)(CCO)	120.8270	0.395	2	120.8270	0.156	2	118.4100	1.969	21	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CCO)	118.5027	1.089	6	118.5027	1.185	6	118.4100	1.969	21	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[3]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CC[3]O)	119.8040	0.000	1	119.8040	0.000	1	118.4100	1.969	21	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[3x6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CC[3x6]O)	115.9990	0.000	1	115.9990	0.000	1	118.4100	1.969	21	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.7700	0.000	1	119.7700	0.000	1	118.4100	1.969	21	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CNO)	116.4080	0.000	1	116.4080	0.000	1	118.4100	1.969	21	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(COO)	117.6797	0.767	6	117.6797	0.589	6	118.4100	1.969	21	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|I<1>,1|N<2>,1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(CNO)	118.1485	0.544	2	118.1485	0.296	2	118.4100	1.969	21	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,2|O<2>,5|C<3>}	O(C[6a]C[6a]2)(CCO)	119.5850	0.000	1	119.5850	0.000	1	118.4100	1.969	21	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)2	120.3998	2.090	16	120.3998	4.369	16	120.4437	3.979	18	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.7945	1.354	2	120.7945	1.834	2	120.4437	3.979	18	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ge-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OGe)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(GeNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OGe){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|Si<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(GeNO)	120.7248	0.429	4	120.7248	0.184	4	120.7248	0.184	4	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(PC[6a]2)	123.3845	1.531	2	123.3845	2.344	2	119.2550	2.707	41	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(POO)	118.2560	0.711	4	118.2560	0.505	4	119.2550	2.707	41	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[5]N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PC[5]N)	116.8250	1.050	4	116.8250	1.103	4	119.2550	2.707	41	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PNO)	119.8983	0.780	8	119.8983	0.608	8	119.2550	2.707	41	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PN[5]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PN[5]O)	119.9450	0.861	4	119.9450	0.741	4	119.2550	2.707	41	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PN[6]O)	120.0519	0.748	8	120.0519	0.559	8	119.2550	2.707	41	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(POO)	118.6800	0.000	1	118.6800	0.000	1	119.2550	2.707	41	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|I<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(PN[6]O)	120.2750	1.137	2	120.2750	1.293	2	119.2550	2.707	41	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|Si<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(POO)	117.9686	0.505	8	117.9686	0.255	8	119.2550	2.707	41	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(CHO)	119.3542	0.304	4	119.3542	0.092	4	118.7173	1.928	6	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(COO)	117.4435	2.121	2	117.4435	4.497	2	118.7173	1.928	6	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[5a]N[5a]2)(C[6a]C[6a]2)	122.4980	0.666	2	122.4980	0.444	2	122.4980	0.444	2	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]N[6])(C[6a]C[6a]2)	122.3540	0.676	2	122.3540	0.457	2	122.3540	0.457	2	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CNS)	118.4605	0.359	2	118.4605	0.129	2	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CNS)	118.3410	0.000	1	118.2180	0.030	2	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CNS)	118.0950	0.000	1	118.2180	0.030	2	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	122.1770	0.000	1	122.1770	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	120.2930	0.000	1	120.2930	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	120.8070	1.242	6	120.8070	1.542	6	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]C)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.7430	0.000	1	117.7430	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	117.1538	0.455	4	117.1538	0.207	4	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCC)	117.2410	0.000	1	117.2410	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	118.0960	0.000	1	118.0960	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]C)	115.2922	0.451	6	115.2922	0.204	6	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCN)	119.4500	0.000	1	119.2250	0.101	2	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCN)	119.0000	0.000	1	119.2250	0.101	2	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	123.8740	0.000	1	123.8740	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]C)	118.2990	0.000	1	118.2990	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNS)	118.2390	0.000	1	118.2390	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	120.4710	0.000	1	120.4710	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	120.7210	0.000	1	121.2658	0.859	5	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	121.8170	0.000	1	121.2658	0.859	5	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	121.2637	1.191	3	121.2658	0.859	5	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.4640	0.000	1	120.2905	0.534	6	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.2558	0.811	5	120.2905	0.534	6	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHH)	117.8600	1.236	2	117.8600	1.528	2	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	118.4670	0.000	1	118.4670	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.8380	0.000	1	120.8380	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]C)	118.6480	0.000	1	118.6480	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	116.3500	0.000	1	119.9170	25.447	2	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	123.4840	0.000	1	119.9170	25.447	2	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]C)	118.3780	0.000	1	118.3780	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCH)	115.8230	0.000	1	115.8230	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]O)	116.0850	0.000	1	116.0850	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.2782	0.797	5	118.2782	0.635	5	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CNO)	118.2620	0.000	1	118.2620	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCC)	124.4913	0.999	3	124.4913	0.998	3	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	120.3313	1.479	3	120.8570	2.564	4	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	122.4340	0.000	1	120.8570	2.564	4	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	121.1900	0.000	1	121.1900	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CNO)	118.0610	0.000	1	118.0610	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	121.7687	1.076	3	121.1968	0.641	39	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	120.8280	0.000	1	121.1968	0.641	39	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	122.1040	0.000	1	121.1968	0.641	39	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	120.5620	0.845	6	121.1968	0.641	39	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	120.3415	0.673	4	121.1968	0.641	39	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	121.1960	0.000	1	121.1968	0.641	39	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CCO)	120.9730	0.000	1	121.1968	0.641	39	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCO)	121.0515	0.398	2	121.1968	0.641	39	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	121.1160	0.000	1	121.1968	0.641	39	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	121.8028	0.453	13	121.1968	0.641	39	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	120.8123	0.537	6	121.1968	0.641	39	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	122.0800	0.409	3	121.9833	0.436	6	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	122.2670	0.959	2	121.9833	0.436	6	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	121.1260	0.000	1	121.9833	0.436	6	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CPdN)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CPdN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	116.7880	0.000	1	116.7880	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(COO)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<1>,2|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(COO){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(COO)	119.9400	0.037	2	119.9400	0.001	2	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	118.9845	0.194	2	118.9845	0.038	2	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	119.6920	0.000	1	119.6920	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	122.1320	0.000	1	122.1320	0.000	1	120.0517	4.628	119	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	118.9000	0.000	1	118.9000	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	118.7570	0.000	1	118.7570	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	115.4920	0.000	1	115.4920	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	116.6970	0.000	1	116.6970	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	114.2220	0.000	1	116.6135	4.993	6	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.9100	0.000	1	116.6135	4.993	6	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.3872	1.651	4	116.6135	4.993	6	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	120.4223	0.609	3	120.4223	0.371	3	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.7220	0.000	1	117.7220	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	120.8020	0.000	1	120.2923	0.575	3	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	120.6540	0.000	1	120.2923	0.575	3	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	119.4210	0.000	1	120.2923	0.575	3	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.1770	0.000	1	118.1770	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	114.8588	1.311	12	114.8588	1.719	12	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	120.1300	0.269	3	120.1300	0.073	3	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.8850	0.000	1	119.8850	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.4630	0.000	1	119.9955	2.992	4	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	120.1730	2.073	3	119.9955	2.992	4	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	123.4330	0.000	1	123.4330	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	114.7050	0.000	1	115.6230	1.685	2	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.5410	0.000	1	115.6230	1.685	2	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	116.8550	0.000	1	116.8550	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.3630	0.000	1	117.3630	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.3820	0.000	1	116.3820	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	121.1559	2.463	10	121.2392	5.163	12	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	122.5990	0.000	1	121.2392	5.163	12	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	120.7120	0.000	1	121.2392	5.163	12	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]N)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]N){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.8750	0.000	1	119.9381	0.230	10	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]N)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]N){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	120.0562	0.318	9	119.9381	0.230	10	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.5800	0.727	2	118.5800	0.528	2	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.0455	1.309	2	119.5879	3.768	17	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.7936	1.949	15	119.5879	3.768	17	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	117.7070	0.491	3	117.7070	0.241	3	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CNO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	117.6700	0.000	1	117.6700	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(CNO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	115.8420	1.659	2	115.8420	2.752	2	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	121.4193	1.438	8	121.4193	2.067	8	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.3340	3.857	2	118.3340	14.873	2	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CCC){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)2	118.9390	0.000	1	118.9390	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	119.3490	0.000	1	119.3490	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)2	121.3895	1.802	2	121.3895	3.249	2	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	122.4474	0.387	7	122.4474	0.149	7	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)2	121.1906	2.129	5	121.1906	4.533	5	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	120.5910	0.000	1	120.5910	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	121.0670	0.000	1	121.0670	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	117.5830	0.000	1	117.5830	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)2	121.5990	0.000	1	121.5990	0.000	1	119.2670	7.022	121	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(PCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PCC)	118.5415	0.367	2	118.5415	0.135	2	118.5415	0.135	2	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	118.2900	0.000	1	118.2900	0.000	1	116.8483	1.864	3	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	O(C[6a]C[6a]2)(CC[6a]O)	116.1275	0.781	2	116.1275	0.611	2	116.8483	1.864	3	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)2	121.3540	0.088	2	121.3540	0.008	2	121.3540	0.008	2	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(B[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(B[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	115.9955	0.703	4	115.9955	0.494	4	115.9955	0.494	4	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(BOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(BOO)	120.3480	1.082	3	120.3480	1.171	3	120.3480	1.171	3	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CNO)	118.8720	0.000	1	118.8720	0.000	1	119.0245	1.413	20	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,4|C<3>}	O(C[6a]C[6a]2)(CCO)	121.8890	0.000	1	121.8890	0.000	1	119.0245	1.413	20	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	117.8060	0.000	1	117.8060	0.000	1	119.0245	1.413	20	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCO)	119.2180	0.899	2	119.0590	2.396	5	119.0245	1.413	20	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCO)	118.3625	2.569	2	119.0590	2.396	5	119.0245	1.413	20	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCO)	120.1340	0.000	1	119.0590	2.396	5	119.0245	1.413	20	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCO)	120.4550	0.000	1	120.4550	0.000	1	119.0245	1.413	20	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.6045	0.129	2	119.6045	0.017	2	119.0245	1.413	20	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCO)	118.2320	0.000	1	118.4005	0.193	4	119.0245	1.413	20	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	118.3280	0.000	1	118.4005	0.193	4	119.0245	1.413	20	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	118.5210	0.718	2	118.4005	0.193	4	119.0245	1.413	20	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.0430	0.000	1	118.0430	0.000	1	119.0245	1.413	20	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[4]O)	C[6a](C[6a]C[6a]2)2(OC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CC[4]O)	118.5060	1.054	2	118.5060	1.110	2	119.0245	1.413	20	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.1530	0.136	2	119.1530	0.018	2	119.0245	1.413	20	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	116.4950	0.212	2	116.4950	0.045	2	119.5367	8.529	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	116.0625	0.080	2	116.0625	0.006	2	119.5367	8.529	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.4460	0.000	1	120.4460	0.000	1	119.5367	8.529	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)2	118.8104	2.373	7	119.9055	8.535	13	119.5367	8.529	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)2	121.1832	3.176	6	119.9055	8.535	13	119.5367	8.529	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.9360	0.000	1	118.9360	0.000	1	119.5367	8.529	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)2	120.4450	0.000	1	121.4632	8.788	5	119.5367	8.529	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	121.7177	3.359	4	121.4632	8.788	5	119.5367	8.529	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)2	117.8320	0.000	1	117.8320	0.000	1	119.5367	8.529	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){2|C<4>,5|C<3>}	O(C[6a]C[6a]2)(PC[6a]2)	113.6520	0.931	2	113.6520	0.866	2	117.6092	3.524	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(POO)	116.0880	2.135	2	116.0880	4.560	2	117.6092	3.524	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[5]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(PC[5]O)	116.4470	0.037	2	116.4470	0.001	2	117.6092	3.524	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(POO)	118.2795	0.384	2	117.3160	1.176	8	117.6092	3.524	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(POO)	116.9948	1.059	6	117.3160	1.176	8	117.6092	3.524	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PC[6a]O)	118.0920	0.508	2	118.0920	0.258	2	117.6092	3.524	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PNO)	119.9580	0.000	1	119.9580	0.000	1	117.6092	3.524	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(POO)	119.0230	0.947	6	119.0230	0.897	6	117.6092	3.524	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(PNO)	119.5235	1.240	2	119.5235	1.537	2	117.6092	3.524	25	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|P<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(SOO)	116.3985	0.209	2	116.3985	0.044	2	116.3985	0.044	2	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]N)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	O(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	O(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	118.8170	0.779	4	118.8170	0.606	4	118.8170	0.606	4	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.3290	0.000	1	120.3290	0.000	1	120.9828	4.488	27	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CC[3]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[3]O)	123.1350	0.000	1	123.1350	0.000	1	120.9828	4.488	27	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	121.4280	0.000	1	121.4280	0.000	1	120.9828	4.488	27	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCC)	120.9290	0.000	1	120.9290	0.000	1	120.9828	4.488	27	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	119.4730	0.000	1	119.4730	0.000	1	120.9828	4.488	27	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	116.6960	0.000	1	116.6960	0.000	1	120.9828	4.488	27	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	120.8190	0.000	1	120.8190	0.000	1	120.9828	4.488	27	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCO)	123.0400	0.000	1	123.0400	0.000	1	120.9828	4.488	27	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	120.7446	2.616	5	120.7446	6.844	5	120.9828	4.488	27	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(COO)	121.6310	0.076	2	121.6310	0.006	2	120.9828	4.488	27	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]O)	119.1650	0.000	1	119.1650	0.000	1	120.9828	4.488	27	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]O)	122.5500	0.000	1	122.5500	0.000	1	120.9828	4.488	27	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CC[6a]O)	121.1987	2.399	10	121.1987	5.753	10	120.9828	4.488	27	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	115.4800	0.000	1	115.4800	0.000	1	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	120.0770	0.208	2	120.0770	0.043	2	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	122.1440	0.000	1	122.1440	0.000	1	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.3460	0.000	1	117.8353	4.993	22	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	119.4898	1.801	4	117.8353	4.993	22	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.4748	2.260	17	117.8353	4.993	22	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	115.6740	0.000	1	115.6740	0.000	1	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCV)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCV){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.0745	2.111	2	119.0745	4.455	2	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C)	O(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C){1|C<3>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	119.8200	0.000	1	119.8200	0.000	1	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	120.3240	0.000	1	120.3200	0.164	4	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	120.1950	0.000	1	120.3200	0.164	4	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	120.3805	0.685	2	120.3200	0.164	4	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]Cu)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]Cu){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	120.9260	0.000	1	120.9260	0.000	1	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	115.9280	1.498	2	115.9280	2.243	2	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	112.9290	0.000	1	115.5155	2.876	6	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	117.8050	0.000	1	115.5155	2.876	6	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	115.6040	1.101	3	115.5155	2.876	6	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	115.5470	0.000	1	115.5155	2.876	6	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	113.5460	0.000	1	117.3365	12.061	11	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.7155	3.412	10	117.3365	12.061	11	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NMnC)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NMnC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.0900	1.756	4	116.0900	3.084	4	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	118.5065	0.480	2	119.1296	1.275	69	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	119.2227	1.112	61	119.1296	1.275	69	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	117.8770	1.789	2	119.1296	1.275	69	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.6475	1.114	4	119.1296	1.275	69	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	124.1890	0.000	1	124.1890	0.000	1	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPdP)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPdP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	125.3047	0.565	4	125.3047	0.319	4	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]O)2(NOO)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	121.8975	3.565	2	121.8975	12.706	2	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.3735	0.231	2	119.3735	0.053	2	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)2	119.4467	2.121	4	119.4467	4.497	4	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)2	121.9000	4.880	2	121.9000	23.819	2	118.8415	5.994	142	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[3]C[3]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[3]C[3]2){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)2	120.4295	0.168	2	120.4295	0.028	2	120.4295	0.028	2	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)2	120.7243	1.317	3	120.7243	1.734	3	120.7243	1.734	3	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6a]C[6a]2)(CCO)	118.7425	0.762	2	118.7425	0.580	2	118.3120	3.877	7	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	116.3655	0.170	2	118.1398	5.541	5	118.3120	3.877	7	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.4085	2.575	2	118.1398	5.541	5	118.3120	3.877	7	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	121.1510	0.000	1	118.1398	5.541	5	118.3120	3.877	7	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6a]C[6a]2)(C[6]C[6]2)	117.5760	0.000	1	117.5760	0.000	1	117.5760	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)2	124.3765	3.262	2	120.1036	10.838	19	119.5630	10.641	23	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)2	121.2360	0.796	2	120.1036	10.838	19	119.5630	10.641	23	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){4|H<1>,5|C<3>}	O(C[6a]C[6a]2)2	123.3128	0.526	5	120.1036	10.838	19	119.5630	10.641	23	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)2	120.3950	0.000	1	120.1036	10.838	19	119.5630	10.641	23	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6a]C[6a]2)2	116.7132	0.398	5	120.1036	10.838	19	119.5630	10.641	23	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.5660	0.506	2	120.1036	10.838	19	119.5630	10.641	23	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.9180	0.000	1	120.1036	10.838	19	119.5630	10.641	23	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a]2)2	117.1690	0.000	1	120.1036	10.838	19	119.5630	10.641	23	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(N[5]C[5]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6a]C[6a]2)2	116.9948	1.536	4	116.9948	2.359	4	119.5630	10.641	23	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){2|Cl<1>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)2	119.1890	0.000	1	119.1890	0.000	1	119.2255	0.003	2	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|I<1>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)2	119.2620	0.000	1	119.2620	0.000	1	119.2255	0.003	2	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	119.6930	0.000	1	119.6930	0.000	1	119.6930	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)2	121.4050	0.000	1	122.8950	4.440	2	122.8950	4.440	2	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)2	124.3850	0.000	1	122.8950	4.440	2	122.8950	4.440	2	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	117.5967	1.035	3	117.5967	1.071	3	117.5967	1.071	3	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	119.6370	0.000	1	119.6370	0.000	1	119.6370	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.8200	2.180	4	116.8200	4.752	4	116.8200	4.752	4	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:P[4]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2)	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[4]N[4]2)	116.7700	0.827	5	116.7700	0.684	5	116.7700	0.684	5	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(SFe2)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(SFe2){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	120.2710	0.748	6	120.2710	0.560	6	120.2710	0.560	6	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	118.0100	0.000	1	118.0100	0.000	1	118.6735	0.880	2	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SRh2)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SRh2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.3370	0.000	1	119.3370	0.000	1	118.6735	0.880	2	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)2	120.9650	0.000	1	120.9650	0.000	1	120.9650	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCO)	117.8940	0.000	1	117.8940	0.000	1	117.8940	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,5|C<3>}	O(C[6a]C[6a]2)2	120.3470	0.000	1	120.3470	0.000	1	120.0110	7.902	5	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)2	121.1770	0.962	2	121.1770	0.925	2	120.0110	7.902	5	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	118.6770	4.929	2	118.6770	24.290	2	120.0110	7.902	5	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,3|C<4>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	O(C[6a]C[6a]2)2	125.7220	0.000	1	125.7220	0.000	1	125.7220	0.000	1	119.3227	5.700	750	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[4,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[5a,6a]C)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[4,6a]O)(CSiC)	O(C[6a]C[4,6a]C[6a])(CH3)	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[5a,6a]C)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[4,6a]O)(CSiC){1|C<4>,1|N<3>,3|C<3>}	O(C[6a]C[4,6a]C[6a])(CH3)	117.6880	0.000	1	117.6880	0.000	1	117.6880	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCO)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCO){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.3030	0.000	1	118.3030	0.000	1	118.3030	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(OC){1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.5215	1.366	6	117.7569	1.989	8	117.6572	1.830	9	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(OC){1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|O<2>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.4630	1.807	2	117.7569	1.989	8	117.6572	1.830	9	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[6a]C[6a]2)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(OC){1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.8600	0.000	1	116.8600	0.000	1	117.6572	1.830	9	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(OP)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	O(C[6a]C[5,6a]C[6a])(PO3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(OP){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(PO3)	120.1185	0.432	2	120.1185	0.187	2	120.1185	0.187	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CHO)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CHO){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	120.2060	0.694	2	120.2060	0.482	2	119.2597	2.928	3	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CC[6a]O)	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	117.3670	0.000	1	117.3670	0.000	1	119.2597	2.928	3	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]Cl)(C[6]C[6]2)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC){1|Cl<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]Cl)(C[6]C[6]2){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.2180	0.000	1	115.2180	0.000	1	116.7070	4.434	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(C[6]C[6]2)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(C[6]C[6]2){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	118.1960	0.000	1	118.1960	0.000	1	116.7070	4.434	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	116.7080	0.000	1	120.7550	14.049	3	119.7724	9.276	5	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	122.7785	1.879	2	120.7550	14.049	3	119.7724	9.276	5	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(OC){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	118.2985	1.329	2	118.2985	1.765	2	119.7724	9.276	5	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(CCO)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(CCO){4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]C[6a])(OC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)	O(C[6a]C[6,6a]C[6a])(CHHO)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]C[6a])(OC){6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O){1|H<1>,2|O<2>,6|C<3>}	O(C[6a]C[6,6a]C[6a])(CHHO)	119.3320	0.191	2	119.3320	0.036	2	119.3320	0.036	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)2(COO)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]C)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)2(COO){3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	124.3965	0.968	2	124.3965	0.937	2	119.5375	9.414	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(CCHH)	117.3165	0.175	2	117.3165	0.031	2	119.5375	9.414	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	117.8270	0.000	1	117.8270	0.000	1	119.5375	9.414	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)2(COO)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)2(COO){3|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.4690	1.147	2	116.4690	1.315	2	119.5375	9.414	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.3947	0.836	3	120.3947	0.698	3	119.5375	9.414	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OS)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OS){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	119.0440	0.000	1	119.0440	0.000	1	119.0440	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OC){1|H<1>,1|N<4>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	120.8590	0.916	2	120.8590	0.840	2	120.8590	0.840	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	122.2040	0.000	1	122.2040	0.000	1	122.2040	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NCC)	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OS){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6,6a]C[6a])(SC[6a]OO)	121.3370	0.000	1	121.3370	0.000	1	121.3370	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OC)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CHO)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CHO){1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a,6a]C[6a])(OC)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a,6a]C[6a])(OC){6|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,2|O<2>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	119.4740	0.578	2	119.4740	0.335	2	119.4740	0.335	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.8155	0.112	2	117.8155	0.013	2	121.0637	18.202	16	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCH)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.6290	0.000	1	119.6290	0.000	1	121.0637	18.202	16	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[5a]H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[5a]H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.1560	0.000	1	120.1560	0.000	1	121.0637	18.202	16	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	117.9760	0.000	1	117.9760	0.000	1	121.0637	18.202	16	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	122.5440	0.556	2	122.5440	0.309	2	121.0637	18.202	16	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	115.9410	0.000	1	115.9410	0.000	1	121.0637	18.202	16	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CHO){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.9770	0.000	1	116.9770	0.000	1	121.0637	18.202	16	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(COO){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.9230	0.580	2	116.9230	0.336	2	121.0637	18.202	16	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	127.5600	0.000	1	127.5600	0.000	1	121.0637	18.202	16	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	124.1240	0.710	2	124.1240	0.504	2	121.0637	18.202	16	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCI)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCI){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	127.9835	0.197	2	127.9835	0.039	2	121.0637	18.202	16	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CCH)	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CCH){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(SiC3)	120.5970	0.000	1	120.5970	0.000	1	119.0554	0.789	5	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN)	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SiC3)	118.6700	0.248	4	118.6700	0.062	4	119.0554	0.789	5	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[6])(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(C[6]C[6]2)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[6])(OC){1|C<4>,1|F<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.2190	0.000	1	118.2190	0.000	1	118.2190	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[6a]-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(OB[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	O(C[6a]C[6a,6a]C[6a])(B[6a]O[6a]2O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(OB[6a]){7|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a,6a]C[6a])(B[6a]O[6a]2O)	117.6625	0.756	2	117.6625	0.571	2	117.6625	0.571	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|H<1>,6|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	118.9150	0.000	1	118.9150	0.000	1	119.2039	2.117	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CHHO)	118.3825	0.218	2	118.3825	0.048	2	119.2039	2.117	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.4630	0.000	1	117.4630	0.000	1	119.2039	2.117	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]S)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]S){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.6440	0.085	2	119.6440	0.007	2	119.2039	2.117	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	121.9960	0.000	1	121.9960	0.000	1	119.2039	2.117	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCS)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCS){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	121.9520	0.000	1	121.9520	0.000	1	118.1280	10.987	3	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHH)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC){1|C<4>,1|F<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.3580	0.000	1	116.3580	0.000	1	118.1280	10.987	3	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHN)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC){1|C<4>,1|F<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHN){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	116.0740	0.000	1	116.0740	0.000	1	118.1280	10.987	3	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NOO)	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	121.6800	0.000	1	121.6800	0.000	1	120.7405	1.765	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(NCH)	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OS){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(NCH){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SC[6a]OO)	119.8010	0.000	1	119.8010	0.000	1	120.7405	1.765	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[5]C[5]2)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(OC){1|F<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.2910	1.013	7	118.2910	1.027	7	118.2910	1.027	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[6]C[6]2)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(OC){1|F<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.2790	0.000	1	118.2790	0.000	1	118.2790	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	As[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](As[6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](As[6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5430	0.485	2	114.5430	0.235	2	114.5430	0.235	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](B[6a]O[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,3|O<2>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]O)2{2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5570	0.048	2	114.5570	0.002	2	114.5570	0.002	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0370	0.000	1	116.0370	0.000	1	116.0370	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]H)(OC){1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.5665	0.325	2	116.5665	0.105	2	116.5665	0.105	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(OC){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6833	1.397	3	119.6833	1.950	3	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OC)	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OC){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]O)2{2|Cl<1>,1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.3860	0.049	2	119.3860	0.002	2	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|As<3>,2|C<3>,2|H<1>}	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8970	0.000	2	115.8970	0.000	2	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8600	0.000	1	115.1050	0.120	2	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3500	0.000	1	115.1050	0.120	2	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9350	0.255	2	114.9350	0.065	2	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]O)2{1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3233	0.601	4	115.3233	0.362	4	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.8175	0.626	2	117.3620	7.256	4	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCCH)	118.9065	3.440	2	117.3620	7.256	4	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5690	0.137	2	116.1869	0.653	25	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.3645	0.586	2	116.1869	0.653	25	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.9870	0.000	1	116.1869	0.653	25	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5201	0.622	8	116.1869	0.653	25	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6495	0.541	2	116.1869	0.653	25	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0755	0.224	2	116.1869	0.653	25	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4980	0.583	2	116.1869	0.653	25	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.9865	0.100	2	116.1869	0.653	25	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	117.1820	0.000	1	116.1869	0.653	25	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3815	0.327	2	116.1869	0.653	25	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<2>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2940	0.000	1	116.1869	0.653	25	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.9380	0.000	1	114.9380	0.000	1	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5877	0.349	3	115.6527	0.098	4	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8480	0.000	1	115.6527	0.098	4	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	122.5950	0.000	1	122.5950	0.000	1	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.6770	0.000	1	117.6770	0.000	1	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.1080	1.088	2	120.1080	1.183	2	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])2(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])2(OC){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2749	0.667	11	119.2749	0.445	11	117.1120	3.916	64	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OP)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OP){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PRuOO)	121.4970	0.000	1	121.4970	0.000	1	121.4970	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){1|Ir<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8670	0.229	2	115.0669	0.087	7	115.0669	0.087	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){1|Rh<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8990	0.137	2	115.0669	0.087	7	115.0669	0.087	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3120	0.260	3	115.0669	0.087	7	115.0669	0.087	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9950	0.000	1	114.9950	0.000	1	118.1450	19.845	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OC){1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	121.2950	0.000	1	121.2950	0.000	1	118.1450	19.845	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NHH){1|C<4>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.9530	0.000	2	116.9530	0.000	2	116.9530	0.000	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.4310	0.000	1	119.4310	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(OC){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	118.9903	0.998	3	118.9903	0.997	3	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC){1|F<1>,1|S<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)(C[6a]C[6a]O){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.8160	0.000	1	120.8160	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC){1|F<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|F<1>,4|C<3>}	O(C[6a]C[6a]2)(CC3)	118.7780	0.000	1	118.7780	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5,5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a]C[5,5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6690	0.441	2	115.6690	0.195	2	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a,5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a]C[5a,5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6445	0.194	2	115.6445	0.038	2	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O){2|H<1>,3|C<3>,4|O<2>}	O(C[6a]C[6a]2)(CH3)	115.3750	0.000	1	115.3007	0.059	3	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O){3|C<3>,3|H<1>,3|O<2>}	O(C[6a]C[6a]2)(CH3)	115.2635	0.330	2	115.3007	0.059	3	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.8830	0.000	1	115.8830	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3390	0.000	1	116.3390	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){2|C<3>,3|O<2>}	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]O)2{1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1270	0.000	1	115.1270	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]O)2{1|S<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8803	2.286	8	115.8803	5.225	8	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]O)2{1|N<3>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5125	0.442	2	115.5125	0.195	2	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCCH)	116.4040	0.496	2	115.8417	0.517	4	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.2795	0.199	2	115.8417	0.517	4	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|I<1>,1|N<2>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.1820	0.000	1	118.2082	13.287	6	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8113	0.608	3	118.2082	13.287	6	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.8165	1.372	2	118.2082	13.287	6	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.6580	0.000	1	115.6580	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.7860	0.000	1	116.4579	1.526	24	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8900	0.000	1	116.4579	1.526	24	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|I<1>,1|N<2>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0430	0.000	1	116.4579	1.526	24	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	115.8270	0.000	1	116.4579	1.526	24	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8890	0.000	1	116.4579	1.526	24	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5185	0.365	6	116.4579	1.526	24	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.3575	0.549	2	116.4579	1.526	24	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3220	0.000	1	116.4579	1.526	24	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5217	2.394	6	116.4579	1.526	24	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1870	0.000	1	116.4579	1.526	24	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.4600	0.252	2	116.4579	1.526	24	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	117.1700	0.000	1	116.4579	1.526	24	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.6670	0.000	1	116.6670	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7540	0.826	2	116.0969	0.352	7	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6540	0.359	2	116.0969	0.352	7	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9540	0.438	3	116.0969	0.352	7	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.5050	0.000	1	116.5050	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3975	0.692	2	116.2427	0.312	3	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9330	0.000	1	116.2427	0.312	3	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]O)2{1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.0640	0.425	5	115.0640	0.180	5	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|N<2>}	O(C[6a]C[6a]2)(CCHH)	116.3105	0.298	2	116.3105	0.089	2	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.5590	0.000	1	116.3225	0.100	4	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2437	0.335	3	116.3225	0.100	4	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|N<2>}	O(C[6a]C[6a]2)(CCHH)	115.8390	0.000	1	115.8390	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2500	0.000	1	115.2500	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5410	0.000	1	115.5410	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	116.1770	0.000	1	121.2443	20.776	3	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCCH)	123.7780	1.742	2	121.2443	20.776	3	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.3510	0.000	1	116.1590	0.398	4	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.2565	0.381	2	116.1590	0.398	4	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.7720	0.000	1	116.1590	0.398	4	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.5680	0.000	1	115.5700	0.860	3	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.0710	0.462	2	115.5700	0.860	3	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1170	0.000	1	116.3555	0.657	11	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4370	1.331	2	116.3555	0.657	11	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9725	0.162	2	116.3555	0.657	11	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0310	0.105	2	116.3555	0.657	11	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.7035	0.551	2	116.3555	0.657	11	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.2530	0.741	2	116.3555	0.657	11	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5913	0.063	4	115.5913	0.004	4	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CHHO)	115.4988	0.440	4	115.4988	0.194	4	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.0777	0.464	12	116.0777	0.216	12	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.4320	0.143	2	116.4320	0.020	2	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.9490	0.000	1	116.7020	0.064	3	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4420	0.000	1	116.7020	0.064	3	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.7150	0.000	1	116.7020	0.064	3	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]O)2{2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.9050	0.000	1	116.9050	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.4560	0.000	1	116.4560	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.5840	0.000	1	115.9915	0.168	11	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3340	0.495	2	115.9915	0.168	11	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9390	0.339	4	115.9915	0.168	11	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7245	0.262	4	115.9915	0.168	11	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.8790	0.000	1	121.2855	0.330	2	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.6920	0.000	1	121.2855	0.330	2	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	120.3665	1.153	2	120.3665	1.330	2	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.6670	0.000	1	120.6670	0.000	1	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.9605	0.607	2	119.9605	0.369	2	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])2(OC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])2(OC){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.4410	0.358	2	119.4410	0.128	2	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])2(OC)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])2(OC){3|C<3>,4|O<2>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]O)2{1|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	118.9930	1.300	12	118.9930	1.689	12	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])2(OC)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])2(OC){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.9415	0.726	2	119.9415	0.527	2	116.8209	3.702	169	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OP){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(PO3)	116.1585	0.291	2	116.1585	0.084	2	117.5115	2.472	4	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Ni)(OP)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Ni)(OP){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(PNiCC)	118.8645	0.094	2	118.8645	0.009	2	117.5115	2.472	4	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OSi)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SiC[6a]2C)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OSi){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(SiC[6a]2C)	116.4085	0.474	2	116.4085	0.225	2	116.4085	0.225	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0050	1.078	2	115.0050	1.161	2	115.0873	0.601	3	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6,6]C[4x6]N[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6,6]C[4x6]N[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2520	0.000	1	115.2520	0.000	1	115.0873	0.601	3	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.5390	0.000	1	114.5390	0.000	1	114.5390	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]Br)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	120.2380	0.303	2	120.2380	0.092	2	116.4126	7.054	12	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)(OC){1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	113.1660	0.448	2	113.1660	0.201	2	116.4126	7.054	12	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	118.9375	2.521	2	118.9375	6.355	2	116.4126	7.054	12	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1025	0.326	2	115.1025	0.106	2	116.4126	7.054	12	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0100	0.016	2	115.5157	0.365	4	116.4126	7.054	12	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	115.0215	0.343	2	115.5157	0.365	4	116.4126	7.054	12	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(OC){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>,3|N<3>}	O(C[6a]C[6a]2)(CH3)	122.7810	2.946	2	122.7810	8.678	2	120.8780	5.266	5	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.2780	0.000	1	119.6093	0.158	3	120.8780	5.266	5	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.0500	0.000	1	119.6093	0.158	3	120.8780	5.266	5	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	119.5000	0.000	1	119.6093	0.158	3	120.8780	5.266	5	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]O)2{1|H<1>,1|P<4>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1025	1.315	2	120.1025	1.728	2	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|N<3>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8010	0.000	1	119.8010	0.000	1	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Li<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.5850	0.000	1	119.5850	0.000	1	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.8085	0.329	2	114.8085	0.108	2	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8820	0.000	1	115.8820	0.000	1	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	114.7029	0.486	12	114.7029	0.236	12	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0330	0.000	1	116.0330	0.000	1	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	117.6420	0.000	1	116.5020	0.426	7	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Co<5>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6910	0.000	1	116.5020	0.426	7	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9660	0.000	1	116.5020	0.426	7	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3780	0.000	1	116.5020	0.426	7	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2980	0.000	1	116.5020	0.426	7	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.7695	0.332	2	116.5020	0.426	7	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)2{1|Ag<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2915	0.012	2	115.3571	0.324	10	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)2{1|Cd<6>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8395	0.581	4	115.3571	0.324	10	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)2{1|Cu<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9075	0.227	4	115.3571	0.324	10	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.2850	0.000	1	124.2850	0.000	1	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	117.4520	0.000	1	117.2175	0.634	4	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.3360	0.000	1	117.2175	0.634	4	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	117.9820	0.000	1	117.2175	0.634	4	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1000	0.000	1	117.2175	0.634	4	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.2530	0.000	1	120.2530	0.000	1	116.2803	4.547	43	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|N<3>,3|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	116.5190	0.602	2	116.5190	0.363	2	116.5190	0.363	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CHHO)	116.3780	0.000	1	116.3780	0.000	1	116.2031	0.171	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4630	0.000	1	116.5415	0.012	2	116.2031	0.171	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O){1|S<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	116.6200	0.000	1	116.5415	0.012	2	116.2031	0.171	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O){1|C<4>,2|H<1>,2|N<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0805	0.189	2	116.0805	0.036	2	116.2031	0.171	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4010	0.000	1	116.4010	0.000	1	116.2031	0.171	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3990	0.000	1	115.3990	0.000	1	116.2031	0.171	7	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OS){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O){1|S<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(SCOO)	117.5670	0.000	1	117.5670	0.000	1	118.1386	1.377	5	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OS){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(SCOO)	119.1910	0.407	2	119.1910	0.166	2	118.1386	1.377	5	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OS){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.3720	1.274	2	117.3720	1.624	2	118.1386	1.377	5	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1180	0.000	1	117.4590	3.597	2	117.4590	3.597	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O){1|H<1>,1|O<1>,7|C<3>}	O(C[6a]C[6a]2)(CH3)	118.8000	0.000	1	117.4590	3.597	2	117.4590	3.597	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CC[3]CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCO){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[3]CC)	118.4280	0.000	1	118.4280	0.000	1	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCO){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.2130	0.000	1	120.2130	0.000	1	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.7320	0.000	1	116.7320	0.000	1	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.2360	0.000	1	117.2360	0.000	1	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCCH)	115.9310	0.000	1	115.9310	0.000	1	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.4522	0.258	12	115.4572	0.061	13	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.5170	0.000	1	115.4572	0.061	13	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|Br<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9680	0.000	1	115.6849	0.258	60	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7320	0.000	1	115.6849	0.258	60	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6328	0.515	33	115.6849	0.258	60	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7805	0.497	25	115.6849	0.258	60	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.5220	0.430	4	116.5220	0.185	4	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1781	0.503	15	116.1781	0.253	15	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.1510	0.000	1	116.1510	0.000	1	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	117.1770	0.000	1	117.1770	0.000	1	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.7600	0.000	1	116.7600	0.000	1	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2680	0.000	1	116.5967	0.186	3	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.7610	0.458	2	116.5967	0.186	3	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3240	0.000	1	116.3240	0.000	1	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.0630	0.000	1	116.0630	0.000	1	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2997	0.081	3	116.2997	0.007	3	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.3070	0.000	1	119.3070	0.000	1	115.9615	0.664	109	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(OP){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(COO){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(PNNO)	121.7400	0.000	1	121.7400	0.000	1	121.7400	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OS){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(SCOO)	115.1900	0.000	1	115.1900	0.000	1	117.0530	6.942	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.9160	0.000	1	118.9160	0.000	1	117.0530	6.942	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(BC[6a]OO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(BC[6a]OO)	121.4430	1.785	2	121.4430	3.185	2	120.8383	1.385	16	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(BO3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(BO3)	120.7519	1.135	14	120.7519	1.289	14	120.8383	1.385	16	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[6]-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OB[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(B[6]O[6]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OB[6]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(B[6]O[6]2O)	118.4455	0.136	2	118.4455	0.019	2	119.3605	1.150	4	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[6]-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OB[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(B[6]O[6]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OB[6]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(B[6]O[6]2O)	120.2755	0.289	2	120.2755	0.084	2	119.3605	1.150	4	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.8960	0.511	4	117.8960	0.261	4	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(CHHO)	118.4903	0.339	4	118.4903	0.115	4	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(OC){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|B<3>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.4100	0.000	1	117.4100	0.000	1	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(OC){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|B<3>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	119.1097	2.047	3	119.1097	4.191	3	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.5352	1.384	6	120.5352	1.915	6	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8826	1.255	9	120.1368	1.774	11	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(CH3)	121.2810	1.394	2	120.1368	1.774	11	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<2>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CHHO)	120.3150	0.000	1	119.7320	0.719	6	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.4190	0.717	2	119.7320	0.719	6	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.7463	1.128	3	119.7320	0.719	6	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC){1|Pt<4>,1|N<3>,1|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(CH3)	122.8450	0.561	3	121.8243	4.378	4	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC){1|Ti<8>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	118.7620	0.000	1	121.8243	4.378	4	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,7|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3280	0.000	1	115.3280	0.000	1	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CHHO)	118.9600	0.000	1	118.7723	0.214	3	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(CHHO)	118.6785	0.613	2	118.7723	0.214	3	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1540	0.000	1	116.1540	0.000	1	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6670	0.000	1	115.6670	0.000	1	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2710	0.000	1	116.2710	0.000	1	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.5227	1.583	62	117.5827	2.416	66	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.5122	0.441	4	117.5827	2.416	66	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CC[5]HH)	116.8498	1.757	14	116.8498	3.087	14	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	117.2737	0.938	10	117.2737	0.879	10	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.0414	2.459	17	118.0414	6.049	17	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9805	0.327	2	116.1804	0.557	33	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1490	0.604	13	116.1804	0.557	33	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|P<3>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9680	0.000	1	116.1804	0.557	33	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|P<4>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2624	1.003	14	116.1804	0.557	33	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,7|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1640	0.000	1	116.1804	0.557	33	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){3|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1245	0.091	2	116.1804	0.557	33	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CHHO)	117.4899	1.620	19	117.3973	2.657	20	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){3|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CHHO)	115.6380	0.000	1	117.3973	2.657	20	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CCCH)	119.4740	1.499	2	119.4740	2.247	2	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CC[6a]CH)	119.0860	0.000	2	119.0860	0.000	2	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	117.0150	0.000	1	116.7007	0.652	4	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8230	0.000	1	116.7007	0.652	4	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3010	0.000	1	116.7007	0.652	4	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){4|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	117.6640	0.000	1	116.7007	0.652	4	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9300	0.000	1	115.9300	0.000	1	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	114.4440	0.140	2	114.4440	0.020	2	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,2|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.6675	0.661	2	120.1128	0.919	4	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,2|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.5580	1.236	2	120.1128	0.919	4	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,2|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.6970	0.374	4	119.6970	0.140	4	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,2|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	118.6980	0.000	1	119.5765	1.544	2	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,2|O<2>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	120.4550	0.000	1	119.5765	1.544	2	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(C[6a]C[6a]O){1|H<1>,2|O<2>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	119.5480	0.000	1	119.5480	0.000	1	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|Si<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CHHO)	124.7715	0.750	2	124.7715	0.563	2	117.8450	4.116	230	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(C[5]C[5]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(C[5]C[5]2O)	119.0610	0.000	1	119.0610	0.000	1	119.0610	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2O)	119.1245	1.399	2	119.1245	1.958	2	119.1245	1.958	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PClOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(PClOO)	118.6640	0.486	2	118.6640	0.237	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,7|C<3>}	O(C[6a]C[6a]2)(PNNO)	118.4090	0.000	1	118.4090	0.000	1	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(PO3)	118.3368	0.820	10	118.3368	0.673	10	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PPdNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6a]C[6a]2)(PPdNO)	118.0240	0.052	2	118.0240	0.003	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PBCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PBCO)	120.0842	0.996	4	120.0842	0.992	4	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PCOS)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PCOS)	119.1930	0.000	1	119.1930	0.000	1	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[5]OO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PC[5]OO)	119.2385	0.421	2	119.2385	0.177	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[5]PdN)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PC[5]PdN)	117.1500	2.230	2	117.1500	4.974	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6]SeO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PC[6]SeO)	118.9980	0.935	2	118.9980	0.874	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PC[6a]2O)	118.1520	1.447	2	118.1520	2.093	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]IrO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PC[6a]IrO)	119.1110	0.100	2	119.1110	0.010	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]MoO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PC[6a]MoO)	119.3235	0.416	2	119.3235	0.173	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]PdO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PC[6a]PdO)	118.7511	0.960	8	118.7511	0.922	8	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]RhO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PC[6a]RhO)	119.0545	0.728	2	119.0545	0.529	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PClOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PClOO)	119.6350	1.148	2	119.6350	1.319	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PCoNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PCoNO)	118.7900	0.966	2	118.7900	0.933	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PFeNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PFeNO)	119.4272	0.854	6	119.4272	0.729	6	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PIrNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PIrNO)	119.3360	0.798	11	119.3360	0.637	11	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PNNO)	119.5823	0.638	4	119.3362	0.608	5	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PNNO)	118.3520	0.000	1	119.3362	0.608	5	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PNOO)	119.4585	0.988	2	119.4585	0.976	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PN[6]RuO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PN[6]RuO)	120.3565	0.108	2	120.3565	0.012	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNiNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PNiNO)	119.7096	0.751	8	119.7096	0.563	8	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PO3)	119.0507	0.520	26	119.0507	0.271	26	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PPdCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PPdCO)	119.0850	0.942	2	119.0850	0.887	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PPdNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PPdNO)	119.8595	0.919	10	119.8595	0.844	10	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PPdOO)	118.4407	1.196	12	118.4407	1.429	12	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PPtCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PPtCO)	118.8230	0.180	2	118.8230	0.032	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PPtNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PPtNO)	119.4488	0.723	6	119.4488	0.523	6	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PPtOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PPtOO)	118.8305	0.088	2	118.8305	0.008	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRhNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PRhNO)	119.4705	1.305	16	119.4705	1.702	16	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PRhOO)	116.8480	1.269	2	116.8480	1.609	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRuNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PRuNO)	119.2920	0.297	4	119.2920	0.088	4	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PRuOO)	119.7518	1.376	6	119.7518	1.893	6	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PSeCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PSeCO)	119.7530	0.632	8	119.7530	0.400	8	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PPdNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,1|P<3>,6|C<3>}	O(C[6a]C[6a]2)(PPdNO)	119.6750	1.013	2	119.1693	0.817	4	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PPdNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,1|P<4>,6|C<3>}	O(C[6a]C[6a]2)(PPdNO)	118.6635	0.634	2	119.1693	0.817	4	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|Si<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(PNOO)	118.6400	1.507	6	118.6400	2.271	6	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|Si<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(PPdOO)	117.8370	0.417	2	117.8370	0.174	2	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|Si<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(PRhOO)	117.4373	1.145	4	117.4373	1.312	4	119.0890	1.118	192	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	120.3140	0.363	3	120.3140	0.132	3	120.3140	0.132	3	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OS){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(SCOO)	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SiC[6a]2C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|P<3>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(SiC[6a]2C)	117.7020	0.000	1	117.7020	0.000	1	119.2470	4.131	4	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SiC[6a]CC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(SiC[6a]CC)	117.3540	0.000	1	117.3540	0.000	1	119.2470	4.131	4	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OSi){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|Si<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(SiC3)	120.9660	0.717	2	120.9660	0.514	2	119.2470	4.131	4	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NCH){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	118.2810	0.000	1	118.2810	0.000	1	118.1282	1.033	6	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2610	0.000	1	119.2610	0.000	1	118.1282	1.033	6	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	117.5850	0.000	1	117.2933	0.142	3	118.1282	1.033	6	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.1475	0.395	2	117.2933	0.142	3	118.1282	1.033	6	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(NOO){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.3470	0.000	1	119.3470	0.000	1	118.1282	1.033	6	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SC[6a]Pd)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SC[6a]Pd){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(PPdOO)	124.5330	1.782	2	124.5330	3.175	2	124.5330	3.175	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:Se-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SeFe2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SeFe2){1|Se<3>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.5535	0.630	2	116.5535	0.397	2	116.5535	0.397	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Ni)(CC[5a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Ni<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Ni)(CC[5a]C[6a])(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5950	0.407	2	115.5950	0.166	2	115.5950	0.166	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC)	C[6a](C[6a]C[6a,6a]Pt)(C[5]N[5]S[5])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC){1|Pt<4>,1|N<3>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]Pt)(C[5]N[5]S[5])(C[6a]C[6a]O){5|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1513	0.617	3	116.1513	0.380	3	116.1513	0.380	3	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0587	1.634	6	116.0587	2.668	6	116.0587	2.668	6	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(OC)	C[6a](C[6a]C[5a,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	114.9360	0.000	1	114.9360	0.000	1	114.9360	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	117.8760	3.032	2	117.8760	9.193	2	117.9725	3.079	4	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(CHHO)	118.0690	0.076	2	118.0690	0.006	2	117.9725	3.079	4	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5090	0.139	2	115.5090	0.019	2	115.5090	0.019	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.0600	1.356	5	115.0600	1.839	5	114.9657	1.102	9	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8477	0.674	4	114.8477	0.454	4	114.9657	1.102	9	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.3840	0.000	1	118.3840	0.000	1	117.0072	3.216	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.4445	0.245	2	115.5450	0.060	3	117.0072	3.216	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.7460	0.000	1	115.5450	0.060	3	117.0072	3.216	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4295	0.197	2	115.4295	0.039	2	117.0072	3.216	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(BC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(BC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4605	0.258	2	115.4605	0.067	2	117.0072	3.216	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]B)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	118.1500	0.215	2	118.1500	0.046	2	117.0072	3.216	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.8125	0.193	2	119.8125	0.037	2	117.0072	3.216	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]B)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]B)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	118.3700	0.000	1	118.3700	0.000	1	117.0072	3.216	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(B[5]O[5]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(OC){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(B[5]O[5]2){2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.5610	0.000	1	120.5610	0.000	1	118.4463	2.390	8	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(B[5]O[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(OC){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(B[5]O[5]2){2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.2890	2.005	3	118.2890	4.020	3	118.4463	2.390	8	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(B[5]O[5]2)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(B[5]O[5]2){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CF3)	118.9320	0.298	2	118.9320	0.089	2	118.4463	2.390	8	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(B[5]O[5]2)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(B[5]O[5]2){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CF3)	117.1390	0.407	2	117.1390	0.166	2	118.4463	2.390	8	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCO){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	117.8790	0.000	1	117.8790	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7980	0.000	1	116.9343	1.069	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.3130	0.862	3	116.9343	1.069	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CCC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.0010	0.000	1	114.0010	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8550	0.000	1	115.8550	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.3540	0.000	1	116.3540	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7395	1.521	2	115.7395	2.313	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1420	0.000	1	120.1420	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.9780	0.000	1	119.9780	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(COO){3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.4615	0.613	2	124.4615	0.376	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]C){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.5480	0.000	1	116.5480	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1610	0.000	1	116.1610	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.4950	0.157	2	117.4950	0.025	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCH){3|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.1017	1.250	6	118.1017	1.562	6	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCH){3|C<3>}	O(C[6a]C[6a]2)(CHHO)	117.6380	1.885	2	117.6380	3.554	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHO){3|C<3>}	O(C[6a]C[6a]2)(CHHO)	117.5260	0.000	1	117.5260	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(COO){3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.4875	0.165	2	117.4875	0.027	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6069	0.779	8	114.6069	0.607	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2400	0.000	1	116.2400	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.0240	0.000	1	119.0240	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6540	0.000	1	115.6540	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1095	0.657	2	115.1095	0.432	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.4040	0.000	1	114.4040	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.9600	0.000	1	120.9600	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.2060	0.000	1	121.2060	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CHO){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.8990	0.000	1	119.8990	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHO){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	117.5040	0.000	1	117.5040	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.8980	0.000	1	119.8980	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.5207	5.117	3	123.5207	26.184	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.3690	0.000	1	120.3690	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.3270	0.000	1	119.3270	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC){1|Pt<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.1400	0.000	1	119.1400	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9819	0.355	15	114.9819	0.126	15	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3420	0.000	1	115.2620	0.013	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1820	0.000	1	115.2620	0.013	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6500	0.000	1	116.2018	0.178	5	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0897	0.393	4	116.2018	0.178	5	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7100	0.000	1	115.7100	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.3650	0.000	1	114.3650	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8560	0.000	1	114.8560	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6,6]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6,6]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.6990	0.000	1	113.6990	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0517	0.175	3	115.4526	0.711	5	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.5540	0.300	2	115.4526	0.711	5	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6120	0.000	1	115.6120	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8850	0.363	3	115.8662	0.254	6	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6410	0.000	1	115.8662	0.254	6	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4505	0.240	2	115.8662	0.254	6	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4250	0.000	1	115.0395	0.297	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6540	0.000	1	115.0395	0.297	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.5290	0.000	1	116.2260	3.396	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9230	0.000	1	116.2260	3.396	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CHHO)	115.8670	0.000	1	115.8670	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0280	0.000	1	115.0280	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CB[6a]C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CB[6a]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1520	0.000	1	115.1520	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC3)	124.1620	0.000	1	121.5110	14.056	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC3)	118.8600	0.000	1	121.5110	14.056	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.2510	4.175	3	115.7312	13.150	5	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	113.4515	0.648	2	115.7312	13.150	5	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.8580	0.180	2	114.8580	0.032	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9320	0.000	1	115.2627	0.820	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6240	0.000	1	115.2627	0.820	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.2320	0.000	1	115.2627	0.820	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHHO)	114.6590	0.000	1	114.6590	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	115.5180	0.000	1	115.5180	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	115.0510	0.000	1	115.9704	1.254	53	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.0718	1.329	34	115.9704	1.254	53	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8960	0.000	1	115.9704	1.254	53	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	115.8261	0.580	17	115.9704	1.254	53	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHO)	124.9030	0.000	1	124.9030	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.4447	0.399	4	114.8273	0.424	7	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.3373	0.592	3	114.8273	0.424	7	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.0830	0.000	1	115.8400	0.681	101	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.6780	0.000	1	115.8400	0.681	101	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3107	0.588	3	115.8400	0.681	101	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.5250	1.074	21	115.8400	0.681	101	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7364	0.364	17	115.8400	0.681	101	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6515	0.279	2	115.8400	0.681	101	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.1260	0.000	1	115.8400	0.681	101	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.3152	0.287	6	115.8400	0.681	101	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4420	0.492	32	115.8400	0.681	101	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0700	0.000	1	115.8400	0.681	101	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.8794	1.023	16	115.8400	0.681	101	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(CC[3x6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[3x6]HH)	115.4410	0.000	1	115.4410	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(CCoHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCoHH)	119.7297	0.741	4	119.7297	0.550	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0747	0.479	7	116.1317	0.223	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5310	0.000	1	116.1317	0.223	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	117.1360	0.000	1	117.1360	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.9693	0.947	4	116.8957	2.232	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.2095	1.039	2	116.8957	2.232	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	117.9970	0.000	1	116.8957	2.232	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.8374	1.975	8	116.8957	2.232	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.3390	0.000	1	116.8957	2.232	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CC[6a]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]3)	117.1290	0.000	1	117.1290	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	117.3235	0.496	2	117.3235	0.246	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.8530	0.000	1	117.0665	0.798	34	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.0026	0.968	7	117.0665	0.798	34	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.5504	0.917	8	117.0665	0.798	34	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.8327	0.816	18	117.0665	0.798	34	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6940	0.178	2	116.6940	0.032	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[4]O)	O(C[6a]C[6a]2)(CC[4]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[4]O){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[4]HH)	124.9980	0.000	1	125.6347	0.265	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[4]O)	O(C[6a]C[6a]2)(CC[4]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[4]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[4]HH)	125.8470	0.357	3	125.6347	0.265	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1200	0.442	7	115.1200	0.195	7	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.6610	0.528	2	115.8150	0.266	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	115.9690	0.652	2	115.8150	0.266	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5060	0.520	2	115.8845	0.183	13	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.0580	0.000	1	115.8845	0.183	13	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.2703	0.619	3	115.8845	0.183	13	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8026	0.240	7	115.8845	0.183	13	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]N)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]N){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6260	0.000	1	116.6260	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.5970	0.000	1	116.4930	0.103	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.4410	0.436	2	116.4930	0.103	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.4260	0.729	3	116.5258	0.688	9	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.6235	0.192	2	116.5258	0.688	9	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0517	0.596	4	116.5258	0.688	9	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.9781	1.475	12	116.8788	3.049	26	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.7938	2.001	14	116.8788	3.049	26	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.3300	2.411	2	115.3300	5.814	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.0365	1.959	2	117.0365	3.839	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]C[5])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]C[5]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.4182	0.781	6	116.4182	0.611	6	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7285	0.812	2	115.7285	0.660	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0340	0.000	1	115.2380	0.083	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4420	0.000	1	115.2380	0.083	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9400	0.148	2	114.9400	0.022	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6630	0.000	1	115.6630	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.5340	0.935	3	115.5340	0.874	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8850	0.000	1	115.2864	0.271	7	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6035	0.303	2	115.2864	0.271	7	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.2960	0.409	2	115.2864	0.271	7	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6605	0.149	2	115.2864	0.271	7	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.1820	0.000	1	117.1820	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2860	0.000	1	116.9500	1.408	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.7560	0.000	1	116.9500	1.408	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.9120	0.000	1	116.9500	1.408	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.8460	0.000	1	116.9500	1.408	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	115.3520	0.119	2	116.7128	3.717	12	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.0010	0.219	2	116.7128	3.717	12	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.2310	2.203	8	116.7128	3.717	12	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4930	0.639	6	115.4930	0.408	6	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHHO)	123.8070	0.788	2	123.8070	0.620	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[4])	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[4]){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[3]HH)	119.2730	0.000	1	119.2730	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5])	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.9515	0.016	2	114.9515	0.000	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5])	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHHO)	125.6950	0.616	4	125.6950	0.380	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.5330	0.000	1	116.5330	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.6298	0.806	8	115.6298	0.650	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	116.4715	0.715	2	116.3148	0.140	6	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	116.2175	0.207	2	116.3148	0.140	6	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	116.2555	0.265	2	116.3148	0.140	6	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	124.7800	1.100	2	125.2067	1.151	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	126.0600	0.000	1	125.2067	1.151	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1118	0.466	5	115.9718	0.259	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8850	0.000	1	115.9718	0.259	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6650	0.809	2	115.9718	0.259	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CSiHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CSiHH)	115.3925	0.601	4	115.3925	0.362	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.0490	0.000	1	115.7391	2.664	48	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.1546	0.878	7	115.7391	2.664	48	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	115.7095	0.547	2	115.7391	2.664	48	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8664	1.777	38	115.7391	2.664	48	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.5897	0.329	3	115.2235	0.298	13	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.4136	0.446	10	115.2235	0.298	13	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3255	0.139	2	115.7783	0.275	95	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.3708	0.549	8	115.7783	0.275	95	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7513	0.472	7	115.7783	0.275	95	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5547	0.494	11	115.7783	0.275	95	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.1986	0.683	8	115.7783	0.275	95	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7012	0.439	59	115.7783	0.275	95	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	116.5530	0.000	1	116.0686	0.325	30	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.6543	0.394	3	116.0686	0.325	30	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.0320	0.102	2	116.0686	0.325	30	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.0737	0.323	3	116.0686	0.325	30	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.1075	0.637	21	116.0686	0.325	30	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	116.0000	0.000	1	116.0000	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.7700	0.000	1	115.8154	0.488	12	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.3155	0.569	6	115.8154	0.488	12	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.2300	0.000	1	115.8154	0.488	12	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.4730	0.338	4	115.8154	0.488	12	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9280	0.000	1	116.1975	0.331	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.3610	0.000	1	116.1975	0.331	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3500	0.000	1	116.1975	0.331	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.6760	0.000	1	116.1975	0.331	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9340	0.000	1	116.1975	0.331	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2320	0.000	1	116.1975	0.331	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.5495	0.343	2	116.1975	0.331	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHP)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.5670	0.000	1	116.5670	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHP)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.3610	0.000	1	114.3610	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	117.8580	2.114	2	116.7297	6.054	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCCH)	114.4730	0.000	1	116.7297	6.054	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.6230	0.000	1	117.5195	0.625	88	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.0250	0.000	1	117.5195	0.625	88	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.4447	0.705	6	117.5195	0.625	88	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	118.1314	0.731	5	117.5195	0.625	88	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.4549	0.766	71	117.5195	0.625	88	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	118.3605	0.941	4	117.5195	0.625	88	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	120.4010	0.000	1	120.4010	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	117.5723	0.236	7	117.5723	0.056	7	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.8440	0.459	5	117.1685	0.601	84	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.7600	0.000	1	117.1685	0.601	84	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.1190	0.000	1	117.1685	0.601	84	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.9980	0.615	2	117.1685	0.601	84	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.8280	0.000	1	117.1685	0.601	84	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.2740	0.000	1	117.1685	0.601	84	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	117.3768	0.736	4	117.1685	0.601	84	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.8940	0.000	1	117.1685	0.601	84	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.1536	0.827	65	117.1685	0.601	84	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.7710	0.000	1	117.1685	0.601	84	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.4005	1.039	2	117.1685	0.601	84	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.5775	0.080	2	117.5775	0.006	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.4430	0.000	1	115.4430	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.5360	0.000	1	117.5360	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	116.5550	0.000	1	116.5550	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.7370	0.725	4	117.6629	1.698	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.7540	0.000	1	117.6629	1.698	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.0840	0.000	1	117.6629	1.698	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	118.0060	0.000	1	117.6629	1.698	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.2955	2.149	4	117.6629	1.698	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.9200	0.000	1	117.6629	1.698	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.4220	0.000	1	117.6629	1.698	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	118.4300	0.504	3	117.6629	1.698	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	119.6990	0.000	1	119.6990	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	117.1955	0.644	2	117.0301	0.941	9	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.9829	1.084	7	117.0301	0.941	9	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.1495	0.900	2	117.4348	0.844	36	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4635	0.095	2	117.4348	0.844	36	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4320	0.000	1	117.4348	0.844	36	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	117.5410	0.000	1	117.4348	0.844	36	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.5070	0.000	1	117.4348	0.844	36	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	117.8160	0.000	1	117.4348	0.844	36	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.7620	0.000	1	117.4348	0.844	36	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.5677	0.889	21	117.4348	0.844	36	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.0490	0.418	3	117.4348	0.844	36	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.9890	0.000	1	117.4348	0.844	36	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.6555	0.214	2	117.4348	0.844	36	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHHO)	116.9860	0.000	1	116.9860	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9830	0.000	1	114.9830	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CRuH)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CRuH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCCH)	115.5900	0.249	2	115.5900	0.062	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6820	0.266	2	116.6820	0.071	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSeO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSeO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.7860	0.564	4	116.7860	0.318	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2840	0.000	1	116.2840	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8050	0.000	1	115.8050	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.1820	0.000	1	116.1820	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.5220	0.091	2	117.5220	0.008	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCO){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.0920	0.000	1	117.0920	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7448	0.626	6	115.4176	0.201	40	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3599	0.395	34	115.4176	0.201	40	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9050	0.487	3	114.9050	0.237	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.6800	0.000	1	118.1590	4.375	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.6380	0.000	1	118.1590	4.375	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.4720	0.509	2	114.8105	0.969	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.1030	0.000	1	114.8105	0.969	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.1950	0.000	1	114.8105	0.969	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9080	0.000	1	115.7565	0.905	25	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7762	1.092	5	115.7565	0.905	25	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2335	1.181	4	115.7565	0.905	25	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	116.6540	0.000	1	115.7565	0.905	25	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4473	0.981	11	115.7565	0.905	25	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8720	0.388	3	115.7565	0.905	25	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHHO)	116.2225	0.677	2	116.2225	0.458	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[5]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1197	0.589	4	115.1197	0.347	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[5]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[5]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9325	0.302	2	114.9325	0.091	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[5a]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[5a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.5005	0.255	2	114.5005	0.065	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[5a]2)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[5a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	115.2770	0.482	8	115.2770	0.232	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[5a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[5a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1438	0.387	16	115.1438	0.150	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[5a]C[5])	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[5a]C[5]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.8865	4.289	4	116.8865	18.399	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[5a]C[5])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[5a]C[5]){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4617	0.630	4	115.4617	0.397	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[5a]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[5a]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0575	0.507	2	115.0575	0.257	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.5730	0.000	1	114.5730	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]N)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]N){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7915	0.653	4	114.7915	0.427	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CO)	121.1350	0.451	2	121.1350	0.204	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]HO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HO)	126.4100	0.000	1	126.4100	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3940	0.000	1	114.9802	0.563	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6900	0.000	1	114.9802	0.563	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6680	0.939	2	114.9802	0.563	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8555	0.842	4	114.9802	0.563	8	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CClC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CClC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4890	0.000	1	115.4890	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.4035	0.231	2	114.4035	0.053	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.9242	2.036	30	114.2483	3.039	46	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,1|O<3>}	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2630	0.701	2	114.2483	3.039	46	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7978	0.715	14	114.2483	3.039	46	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4892	0.346	4	115.3463	0.135	7	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1557	0.359	3	115.3463	0.135	7	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.0595	0.281	2	114.5010	0.624	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3840	0.000	1	114.5010	0.624	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CNS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CNS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0705	0.284	16	115.0705	0.081	16	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0367	0.475	17	115.2349	0.452	21	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.7495	0.129	2	115.2349	0.452	21	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4050	0.332	2	115.2349	0.452	21	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.1285	0.882	2	118.1285	0.778	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.1650	0.000	1	117.1650	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2700	0.000	1	115.2700	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|I<1>}	O(C[6a]C[6a]2)(CH3)	120.7520	0.000	1	120.7520	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(CHO){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.4900	0.000	1	120.4900	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	122.8667	0.458	3	121.3536	1.478	22	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.0840	1.418	2	121.3536	1.478	22	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	121.1787	1.165	11	121.3536	1.478	22	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	121.0077	1.180	6	121.3536	1.478	22	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	122.1810	0.000	2	123.4508	0.608	12	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	123.7103	0.720	6	123.4508	0.608	12	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.6965	0.277	4	123.4508	0.608	12	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CHHO)	122.3800	0.000	1	122.3800	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CNO){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	116.3750	0.515	2	116.3750	0.265	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CNO){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	116.7080	0.105	2	116.7080	0.011	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,3|O<2>}	O(C[6a]C[6a]2)(CH3)	119.3030	0.000	1	119.3030	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.4623	0.442	3	117.4623	0.195	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCCH)	119.2660	0.000	1	119.2660	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.8165	0.039	2	118.8165	0.002	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	123.0520	0.000	1	123.0520	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.5647	0.414	3	118.5647	0.171	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.4760	0.000	1	119.4760	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.2040	0.000	1	119.2040	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CPdN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CPdN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.4425	1.493	2	118.4425	2.228	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	121.6930	0.000	1	121.6930	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>,3|O<2>}	O(C[6a]C[6a]2)(CH3)	118.6490	0.000	1	118.6490	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	121.6870	0.000	1	121.6870	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.4265	0.946	10	118.8101	0.690	20	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.3039	0.458	8	118.8101	0.690	20	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.7525	0.383	2	118.8101	0.690	20	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.6020	0.855	6	118.7086	0.689	7	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.3480	0.000	1	118.7086	0.689	7	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.1850	0.000	1	117.1850	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	119.2295	0.353	2	119.2295	0.125	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.7000	0.000	1	116.7000	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	120.0410	0.000	1	118.9718	0.714	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	118.6153	0.555	3	118.9718	0.714	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.4583	0.262	3	118.4583	0.069	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.3254	1.052	8	119.3901	0.759	20	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.3458	0.749	11	119.3901	0.759	20	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.3960	0.000	1	119.3901	0.759	20	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	119.4296	0.686	9	119.4296	0.471	9	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.3415	0.214	2	119.3415	0.046	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.9690	0.000	1	118.5980	5.307	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.2270	0.000	1	118.5980	5.307	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.9196	0.886	7	120.9196	0.784	7	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	121.1890	0.000	1	121.1890	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	119.5500	1.215	2	119.5500	1.476	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.4838	1.003	4	120.4838	1.006	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CCHH)	118.1590	0.000	1	118.1590	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|N<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.4610	0.000	1	119.4610	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.2210	0.000	1	119.2210	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	118.5190	0.000	1	118.5190	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1010	1.249	4	120.1010	1.560	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.4695	0.518	2	119.4695	0.269	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.7397	1.548	10	119.7397	2.396	10	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5]){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.5925	0.053	2	119.5925	0.003	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	120.5640	0.642	4	120.5640	0.413	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	118.5910	0.000	1	119.1077	0.646	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.3660	0.945	2	119.1077	0.646	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	120.8780	0.000	1	119.9383	0.934	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.4685	0.738	2	119.9383	0.934	3	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CHHO)	119.8610	0.000	1	119.8610	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.9435	0.424	2	119.7163	1.245	6	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.5825	1.160	2	119.7163	1.245	6	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6230	1.410	2	119.7163	1.245	6	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CC[5]CC)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[5]CC)	120.6800	0.000	1	120.6800	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.2210	0.000	1	118.2210	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.5975	0.390	2	119.5975	0.152	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CC[5a]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[5a]2){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	119.5520	1.546	2	119.5520	2.389	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CClC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CClC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.6040	0.000	1	116.6040	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.4820	0.000	1	121.4820	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(COO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.2933	1.625	4	119.2933	2.641	4	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	122.9480	1.896	2	122.9480	3.597	2	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]O)2(CNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	120.0340	0.000	1	120.0340	0.000	1	116.8281	4.765	1407	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	127.3780	0.000	1	127.3780	0.000	1	124.6365	15.032	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	121.8950	0.000	1	121.8950	0.000	1	124.6365	15.032	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PNiCC)	122.1850	1.123	2	122.1850	1.261	2	120.6392	4.872	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CIrO)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CIrO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PIrCC)	124.9820	0.000	1	124.9820	0.000	1	120.6392	4.872	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(PCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PCOO)	120.6730	1.609	2	120.6730	2.590	2	120.6392	4.872	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PO3)	117.1530	0.000	1	117.1530	0.000	1	120.6392	4.872	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Ir<6>,2|C<3>}	O(C[6a]C[6a]2)(PIrCC)	119.6352	0.238	4	119.6352	0.057	4	120.6392	4.872	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5,6]O)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5,6]O){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	121.3452	1.322	4	121.3452	1.748	4	119.8486	2.464	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.7450	1.410	2	117.7450	1.988	2	119.8486	2.464	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.3580	0.000	1	118.3580	0.000	1	119.8486	2.464	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.4617	1.037	3	118.4617	1.076	3	119.8486	2.464	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.3945	0.383	2	120.3298	0.157	4	119.8486	2.464	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.2650	0.554	2	120.3298	0.157	4	119.8486	2.464	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.5920	0.000	1	120.4980	0.785	3	119.8486	2.464	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.9510	0.583	2	120.4980	0.785	3	119.8486	2.464	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OSi)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OSi){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SiC3)	118.8800	0.000	1	118.8800	0.000	1	119.2209	4.017	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiC3)	117.0760	0.000	1	117.0760	0.000	1	119.2209	4.017	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SiC3)	118.3430	0.000	1	118.3430	0.000	1	119.2209	4.017	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	O(C[6a]C[6a]2)(SiClCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiClCO)	122.2630	0.000	1	122.2630	0.000	1	119.2209	4.017	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(C[6a]C[6a]2)(SiC[6a]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(SiC[6a]2O)	118.3790	0.567	2	118.3790	0.322	2	119.2209	4.017	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SiCCO)	123.4640	0.000	1	123.4640	0.000	1	119.2209	4.017	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SiC3)	118.5070	0.000	1	118.5070	0.000	1	119.2209	4.017	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OSi)	C[6a](C[6a]C[6a]O)2(CCO)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OSi){1|C<3>,1|C<4>,1|H<1>,1|S<4>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SiC3)	118.4590	0.017	2	118.4590	0.000	2	119.2209	4.017	10	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[3]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8850	0.000	1	114.8850	0.000	1	114.8850	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.3040	0.000	1	119.3040	0.000	1	119.3040	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	117.4860	0.000	1	117.4860	0.000	1	115.8503	0.876	22	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CF3)	118.5490	0.000	1	118.5490	0.000	1	115.8503	0.876	22	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5450	0.000	1	116.2128	0.173	5	115.8503	0.876	22	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9790	0.000	1	116.2128	0.173	5	115.8503	0.876	22	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1070	0.700	2	116.2128	0.173	5	115.8503	0.876	22	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3260	0.000	1	116.2128	0.173	5	115.8503	0.876	22	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.6370	0.515	4	115.6439	0.630	7	115.8503	0.876	22	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(CCHH)	116.4040	0.000	1	115.6439	0.630	7	115.8503	0.876	22	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6a]C[6a]2)(CCHH)	115.2775	1.463	2	115.6439	0.630	7	115.8503	0.876	22	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2170	0.123	4	115.2170	0.015	4	115.8503	0.876	22	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[5]N[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(C[5]N[5]2){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3080	0.253	4	115.3080	0.064	4	115.8503	0.876	22	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(PO3)	117.1310	0.000	1	117.1310	0.000	1	117.1310	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.4295	1.637	2	117.4295	2.680	2	116.0204	1.031	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.5020	0.242	2	115.5020	0.058	2	116.0204	1.031	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6835	0.357	2	116.0787	0.285	4	116.0204	1.031	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2460	0.000	1	116.0787	0.285	4	116.0204	1.031	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.7020	0.000	1	116.0787	0.285	4	116.0204	1.031	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	117.1780	0.000	1	117.1780	0.000	1	116.0204	1.031	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0355	0.477	2	115.2272	0.132	4	116.0204	1.031	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4190	0.150	2	115.2272	0.132	4	116.0204	1.031	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(PRuOO)	120.4610	0.000	1	120.4610	0.000	1	120.4610	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.7770	0.000	1	117.7770	0.000	1	117.7770	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(BO3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(BO3)	120.4555	0.483	31	120.4555	0.233	31	120.0702	1.911	34	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(OB)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(BN[6]OO)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(OB){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(BN[6]OO)	116.0897	1.405	3	116.0897	1.974	3	120.0702	1.911	34	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[6]-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OB[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(B[6]O[6]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OB[6]){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(B[6]O[6]2O)	119.5765	0.753	2	119.5765	0.567	2	119.5765	0.567	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2625	0.289	2	116.2625	0.084	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.0870	0.735	4	120.0870	0.541	4	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CHHO)	118.9970	0.363	4	118.9970	0.132	4	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.0650	0.000	1	115.0650	0.000	1	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	113.5475	0.332	2	113.5475	0.110	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	114.3200	0.000	1	114.3200	0.000	1	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	119.4473	0.778	6	119.4473	0.606	6	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	121.2110	0.000	1	121.2110	0.000	1	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.2445	0.585	2	119.2295	0.180	4	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.5280	0.000	1	119.2295	0.180	4	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CHHO)	118.9010	0.000	1	119.2295	0.180	4	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6867	4.421	3	115.6867	19.547	3	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)2{1|P<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3895	0.478	4	115.3895	0.229	4	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1180	0.000	1	116.1180	0.000	1	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)2{1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1090	0.489	2	115.1090	0.239	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7347	0.089	3	115.7347	0.008	3	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1800	0.231	2	115.1800	0.053	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7030	0.335	2	115.7030	0.112	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.4573	3.221	12	116.4573	10.374	12	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	114.1290	0.417	2	114.1290	0.174	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5780	0.000	1	114.5780	0.000	1	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.5810	0.000	1	116.3105	0.146	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0400	0.000	1	116.3105	0.146	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3320	0.000	1	116.3320	0.000	1	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3790	0.467	2	115.1225	0.333	21	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8310	0.772	2	115.1225	0.333	21	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1740	0.000	1	115.1225	0.333	21	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|Cl<1>,1|N<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3980	0.000	1	115.1225	0.333	21	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.4655	0.240	2	115.1225	0.333	21	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|N<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4525	0.316	2	115.1225	0.333	21	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5160	0.000	1	115.1225	0.333	21	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5435	0.371	2	115.1225	0.333	21	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5900	0.066	2	115.1225	0.333	21	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3968	0.554	5	115.1225	0.333	21	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9780	0.000	1	115.1225	0.333	21	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCCO)	119.0165	0.216	4	119.1049	0.090	8	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCCO)	119.5190	0.020	2	119.1049	0.090	8	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCCO)	118.8675	0.018	2	119.1049	0.090	8	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.5565	1.074	2	117.6758	4.112	60	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.2313	1.828	16	117.6758	4.112	60	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.2240	0.000	1	117.6758	4.112	60	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.7675	0.411	11	117.6758	4.112	60	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.2690	0.000	1	117.6758	4.112	60	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.8415	0.525	2	117.6758	4.112	60	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.5522	0.324	5	117.6758	4.112	60	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.7729	2.098	19	117.6758	4.112	60	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|P<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.3400	0.000	1	117.6758	4.112	60	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.1650	0.167	2	117.6758	4.112	60	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[3]HH)	117.2622	0.976	4	117.2622	0.953	4	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	116.4488	0.903	4	116.4488	0.815	4	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.0910	0.385	2	116.0910	0.148	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9640	0.000	1	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9300	0.554	6	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	117.0752	1.702	9	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2290	0.030	2	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4893	0.930	3	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7730	0.546	2	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6150	0.626	2	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|F<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7470	0.000	1	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4387	0.120	3	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.8040	0.000	1	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	117.4032	0.716	6	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0240	0.000	1	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5910	0.000	1	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1150	0.000	1	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8300	0.000	1	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.9310	1.446	4	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1085	0.028	2	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|S<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4250	0.000	1	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.6185	0.095	2	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7213	0.231	3	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4690	0.000	1	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|P<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.6540	0.000	1	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2388	0.351	6	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<4>,1|P<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3360	0.000	1	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7715	0.180	2	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8955	0.530	4	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|P<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4100	0.226	3	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5470	0.058	2	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4863	0.336	3	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6602	0.539	6	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6428	0.306	5	116.0990	0.928	86	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.6030	0.000	1	117.7575	6.812	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CHHO)	115.9120	0.000	1	117.7575	6.812	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|P<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CHHP)	119.0490	1.206	3	119.0490	1.454	3	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(C[6a]C[6a]O){1|I<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCCH)	119.3585	0.251	2	119.3585	0.063	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCCH)	118.3630	0.488	2	118.3630	0.238	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1635	0.172	2	115.2417	0.029	4	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3200	0.184	2	115.2417	0.029	4	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P){2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCCH)	118.9250	0.000	1	117.7871	6.389	7	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P){1|O<2>,1|P<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCCH)	117.5975	2.714	6	117.7871	6.389	7	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P){1|N<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.8055	0.568	2	115.0434	0.725	5	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.4420	0.000	1	115.0434	0.725	5	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.5820	0.284	2	115.0434	0.725	5	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3090	0.000	1	114.7731	1.066	11	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3650	0.000	1	114.7731	1.066	11	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P){1|O<2>,1|P<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5367	0.965	9	114.7731	1.066	11	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]S)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|S<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]S){1|O<2>,1|S<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1970	0.182	2	115.1970	0.033	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|O<2>,1|P<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCCH)	118.6520	0.000	1	115.9619	4.570	9	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|P<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCCH)	114.2308	0.278	4	115.9619	4.570	9	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCCH)	118.7870	0.116	2	115.9619	4.570	9	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|P<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.2540	0.351	2	115.9619	4.570	9	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|Br<1>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6360	0.632	2	115.1248	0.595	46	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7735	0.837	2	115.1248	0.595	46	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|O<2>,1|P<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9330	0.000	1	115.1248	0.595	46	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|P<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4677	0.150	4	115.1248	0.595	46	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|P<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0047	1.044	20	115.1248	0.595	46	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3000	0.000	1	115.1248	0.595	46	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|C<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3080	0.559	4	115.1248	0.595	46	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2060	0.214	2	115.1248	0.595	46	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.3910	0.000	1	115.1248	0.595	46	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3808	0.281	4	115.1248	0.595	46	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|P<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9405	0.278	2	115.1248	0.595	46	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{1|P<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8910	0.441	2	115.1248	0.595	46	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5050	0.000	1	115.1248	0.595	46	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3614	0.699	5	115.3614	0.488	5	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CHHO)	114.6388	1.237	4	114.6388	1.531	4	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8385	0.183	2	114.8385	0.034	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){1|S<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.1995	1.220	2	117.2353	0.748	3	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.3070	0.000	1	117.2353	0.748	3	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9850	0.000	1	114.9850	0.000	1	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.7130	0.000	1	116.0897	0.616	3	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.7780	0.806	2	116.0897	0.616	3	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.9660	0.000	1	116.4824	1.183	10	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9470	0.000	1	116.4824	1.183	10	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4720	0.000	1	116.4824	1.183	10	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.6505	0.114	2	116.4824	1.183	10	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	117.2707	0.903	4	116.4824	1.183	10	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0550	0.000	1	116.4824	1.183	10	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.5400	0.000	1	120.2365	21.826	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.9330	0.000	1	120.2365	21.826	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	117.4290	0.000	1	117.4290	0.000	1	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1735	0.336	2	115.1735	0.113	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5150	0.000	1	116.0157	0.210	3	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2660	0.209	2	116.0157	0.210	3	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.2413	0.922	3	117.2413	0.850	3	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|F<1>,1|I<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.0605	0.207	2	119.0605	0.043	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|I<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.9318	0.416	9	119.9318	0.173	9	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.9070	0.000	1	119.9070	0.000	1	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)2{2|I<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.0810	0.965	4	119.0810	0.932	4	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.5330	0.000	1	116.8735	0.870	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|N<3>}	O(C[6a]C[6a]2)(CH3)	116.2140	0.000	1	116.8735	0.870	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.4300	0.000	1	118.4300	0.000	1	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,6|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.4808	0.705	5	118.4808	0.498	5	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1825	0.514	4	118.9164	2.405	29	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.8397	1.495	18	118.9164	2.405	29	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1845	2.463	2	118.9164	2.405	29	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4310	0.000	1	118.9164	2.405	29	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	117.9825	1.009	4	118.9164	2.405	29	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.9670	1.037	4	119.8040	0.939	5	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.1520	0.000	1	119.8040	0.939	5	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8560	0.000	1	120.6613	0.482	6	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	120.3950	0.000	1	120.6613	0.482	6	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.6820	0.000	1	120.6613	0.482	6	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1250	0.000	1	120.6613	0.482	6	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	120.6470	0.000	1	120.6613	0.482	6	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	121.2630	0.000	1	120.6613	0.482	6	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){1|O<2>,3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	121.5280	0.000	1	121.5280	0.000	1	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	117.9458	0.921	4	118.3881	0.711	8	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	118.0840	0.000	1	118.3881	0.711	8	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>,3|O<2>}	O(C[6a]C[6a]2)(CH3)	118.8070	0.000	1	118.3881	0.711	8	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2155	0.111	2	118.3881	0.711	8	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.9060	0.035	2	120.9060	0.001	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|S<3>,4|C<3>}	O(C[6a]C[6a]2)(CHHO)	123.7790	0.000	1	123.7790	0.000	1	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CHHO)	120.8620	0.000	1	119.7543	1.129	3	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CHHO)	119.2005	0.646	2	119.7543	1.129	3	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)2(OC){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,2|C<4>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	118.6770	0.234	3	118.6770	0.055	3	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)2(OC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.6415	1.867	2	119.6415	3.487	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)2(OC){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	120.6997	0.997	3	119.5814	1.216	39	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)2(OC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.4722	1.134	32	119.5814	1.216	39	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)2(OC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6167	0.247	4	119.5814	1.216	39	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Br<1>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.9570	0.197	2	119.9570	0.039	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]CH)	119.4735	0.240	2	119.4735	0.057	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Br<1>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.8890	0.450	2	119.8890	0.202	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)2{1|C<4>,1|H<1>,1|P<4>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	121.3460	0.000	1	119.9105	4.121	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)2{1|C<4>,1|H<1>,1|P<4>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	118.4750	0.000	1	119.9105	4.121	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){1|Br<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	120.4010	0.000	1	120.4010	0.000	1	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.7240	0.000	1	119.7240	0.000	1	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OC){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P){1|Cl<1>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.5240	1.866	4	116.5240	3.481	4	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OC){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.5090	0.000	1	119.6380	0.033	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OC){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.7670	0.000	1	119.6380	0.033	2	117.2018	4.820	516	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(C[5]C[5]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2O)	118.8271	0.436	8	118.8271	0.190	8	118.8271	0.190	8	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2O)	119.7915	0.718	2	119.7915	0.515	2	119.7915	0.515	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Nb-4:	C[6a](C[6a]C[6a]2)2(ONb)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(NbCCO)	C[6a](C[6a]C[6a]2)2(ONb){7|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){3|H<1>,6|C<3>}	O(C[6a]C[6a]2)(NbCCO)	118.7848	0.538	4	118.7848	0.290	4	118.7848	0.290	4	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PClOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|P<4>,5|C<3>}	O(C[6a]C[6a]2)(PClOO)	116.9280	0.806	2	116.9280	0.650	2	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(PNNO)	117.4610	0.000	1	117.4610	0.000	1	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(PO3)	118.1022	0.540	6	117.7207	0.733	10	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|P<4>,5|C<3>}	O(C[6a]C[6a]2)(PO3)	116.6050	0.000	1	117.7207	0.733	10	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){2|C<4>,5|C<3>}	O(C[6a]C[6a]2)(PO3)	117.3297	1.131	3	117.7207	0.733	10	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PPdNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(PPdNO)	117.7855	0.825	2	117.7855	0.681	2	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRhNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(PRhNO)	116.1685	0.609	2	116.1685	0.371	2	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(PRhOO)	116.1692	0.845	12	116.1692	0.715	12	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]PdO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(PC[6a]PdO)	118.9199	1.095	8	118.9199	1.198	8	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]PtO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(PC[6a]PtO)	117.8593	0.996	3	117.8593	0.992	3	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]RhO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(PC[6a]RhO)	119.0093	0.515	4	119.0093	0.265	4	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PIrOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(PIrOO)	117.1570	0.697	4	117.1570	0.486	4	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(PRhOO)	117.3090	0.508	4	117.9341	1.447	16	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(PRhOO)	118.1425	1.309	12	117.9341	1.447	16	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(PRuOO)	120.6435	1.467	2	119.2536	8.363	8	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(PRuOO)	118.7903	3.201	6	119.2536	8.363	8	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(PC[6a]2O)	116.2730	0.000	1	116.2730	0.000	1	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(PRhOO)	118.5222	0.412	4	118.5222	0.169	4	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(PRuOO)	119.3337	0.321	4	119.3337	0.103	4	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PCOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PCOO)	119.6390	0.065	2	119.6390	0.004	2	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[5a]OO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PC[5a]OO)	118.6535	1.016	2	118.6535	1.032	2	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[5a]SeO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PC[5a]SeO)	119.5285	1.466	2	119.5285	2.149	2	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]2Pd)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pd<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Pd)	118.6000	0.072	2	118.6000	0.005	2	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]PdO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PC[6a]PdO)	119.6730	2.483	2	119.6730	6.167	2	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]PtO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PC[6a]PtO)	118.6165	1.447	2	118.6165	2.095	2	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PC[6a]RhO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PC[6a]RhO)	118.6063	0.887	4	118.6063	0.786	4	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PHOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PHOO)	119.3170	0.000	1	119.3170	0.000	1	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PIrOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PIrOO)	120.2335	0.576	2	120.2335	0.332	2	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PMoFO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PMoFO)	119.3727	0.543	4	119.3727	0.295	4	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PMoOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PMoOO)	119.5943	0.591	16	119.5943	0.349	16	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PNNO)	118.9808	0.500	13	118.9808	0.250	13	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PNOO)	119.4515	0.161	2	119.4515	0.026	2	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PNiCC)	120.6835	0.568	2	120.6835	0.322	2	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNiNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PNiNO)	120.0175	1.244	2	120.0175	1.547	2	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PO3)	118.7710	0.737	6	118.6068	1.433	8	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(PO3)	118.1140	2.582	2	118.6068	1.433	8	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(POOS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(POOS)	118.7055	0.429	2	118.7055	0.184	2	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PPdCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pd<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PPdCC)	119.2113	0.738	4	119.2113	0.545	4	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PPdNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PPdNO)	119.5957	0.738	12	119.5957	0.545	12	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(PRhOO)	116.2040	0.000	1	116.2040	0.000	1	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRuNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PRuNO)	119.8950	2.134	4	119.8950	4.554	4	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(OP){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(PNNO)	119.0090	0.000	1	119.0090	0.000	1	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)2(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]2)2(OP){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,4|C<3>}	O(C[6a]C[6a]2)(PO3)	117.7400	0.288	4	118.2740	0.752	12	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)2(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]2)2(OP){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(PO3)	118.8822	0.494	6	118.2740	0.752	12	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)2(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]2)2(OP){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(PO3)	117.5175	1.515	2	118.2740	0.752	12	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]2)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]2)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PNiCC)	118.3369	0.886	8	118.3369	0.786	8	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]2)(OP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PPdCC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]2)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pd<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(PPdCC)	118.5200	0.700	4	118.5200	0.491	4	118.5822	1.980	195	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP[6]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	119.1749	0.592	31	119.1749	0.350	31	119.1749	0.350	31	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OS){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.6480	0.000	1	117.6480	0.000	1	117.3556	2.721	14	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(SCOO)	118.2990	0.000	1	118.2990	0.000	1	117.3556	2.721	14	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]S)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]S){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	115.2850	0.000	1	115.2850	0.000	1	117.3556	2.721	14	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(SCOO)	117.0220	1.854	8	117.2390	2.885	10	117.3556	2.721	14	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){1|P<4>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(SCOO)	118.1070	0.098	2	117.2390	2.885	10	117.3556	2.721	14	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.3570	0.000	1	119.3570	0.000	1	117.3556	2.721	14	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IOO)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	113.7050	0.000	1	113.7050	0.000	1	113.7050	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.2110	0.000	1	114.2110	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.1950	0.390	4	117.6186	1.012	5	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.3130	0.000	1	117.6186	1.012	5	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	117.7370	0.069	2	117.7370	0.005	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	120.7825	3.037	2	120.7825	9.224	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	123.7070	0.000	1	124.9510	3.095	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	126.1950	0.000	1	124.9510	3.095	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(CCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCHO)	119.9990	0.000	1	119.9990	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.9104	0.151	5	116.6482	0.304	26	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.0450	0.000	1	116.6482	0.304	26	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4877	0.674	14	116.6482	0.304	26	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.7382	0.373	6	116.6482	0.304	26	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	120.5370	0.000	1	122.6004	3.203	15	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	124.3505	1.097	2	122.6004	3.203	15	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	125.3430	0.301	2	122.6004	3.203	15	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.7180	0.000	1	122.6004	3.203	15	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.8640	0.000	1	122.6004	3.203	15	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	121.9945	1.386	4	122.6004	3.203	15	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	122.3805	0.786	4	122.6004	3.203	15	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(NCH)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(NCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	117.0590	0.000	1	117.0590	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3420	0.000	1	115.3420	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.1560	0.000	1	115.1560	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	124.9540	0.000	1	124.9540	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6]HH)	118.4960	0.000	1	118.4960	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NFeC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NFeC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9530	0.000	1	114.9530	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5030	0.000	1	115.5030	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NPdC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NPdC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2040	0.000	1	115.3800	0.062	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NPdC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NPdC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5560	0.000	1	115.3800	0.062	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(NNiC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(NNiC){1|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	116.2560	0.071	2	116.2560	0.005	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NAlC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NAlC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0812	0.513	6	116.0812	0.264	6	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.2107	0.351	3	115.8280	0.173	19	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.5810	0.000	1	115.8280	0.173	19	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.7679	0.407	15	115.8280	0.173	19	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6]HH)	122.5420	0.000	1	122.5420	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8590	0.000	1	116.0002	0.034	9	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0179	0.190	8	116.0002	0.034	9	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	114.2320	0.000	1	114.1553	0.050	3	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	114.1170	0.303	2	114.1553	0.050	3	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	115.0853	0.945	10	114.5410	0.666	37	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.3702	0.702	24	114.5410	0.666	37	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.0937	0.419	3	114.5410	0.666	37	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	114.4863	0.042	3	114.4863	0.002	3	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.5690	0.427	2	114.8475	0.611	141	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7835	0.193	4	114.8475	0.611	141	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.3942	0.270	4	114.8475	0.611	141	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7490	0.000	1	114.8475	0.611	141	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9490	0.000	1	114.8475	0.611	141	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	110.9410	0.000	1	114.8475	0.611	141	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.1501	0.571	9	114.8475	0.611	141	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8471	0.745	118	114.8475	0.611	141	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6890	0.000	1	114.8475	0.611	141	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1720	0.000	1	115.8255	0.240	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4790	0.000	1	115.8255	0.240	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCP)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9460	0.270	2	115.9460	0.073	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7422	0.590	4	115.7422	0.349	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCV)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCV){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CF3)	117.1407	0.881	4	117.1407	0.776	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6505	0.271	2	114.6505	0.073	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1730	0.000	1	116.1730	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9250	0.000	1	114.9250	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7475	0.088	2	114.7475	0.008	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.8010	0.430	2	116.1848	0.320	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5685	0.431	2	116.1848	0.320	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.5710	0.000	1	116.3380	1.265	3	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7215	0.500	2	116.3380	1.265	3	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.7500	0.000	1	114.7500	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7380	0.000	1	115.1031	0.391	8	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.4615	0.371	2	115.1031	0.391	8	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.4430	0.000	1	115.1031	0.391	8	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6803	0.608	4	115.1031	0.391	8	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]Ni)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]Ni){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8003	0.182	4	115.8003	0.033	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]Zn)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]Zn){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4620	0.000	1	115.4620	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCoC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCoC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.5234	1.024	12	115.5234	1.049	12	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCuC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCuC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.9485	0.364	4	114.9485	0.132	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	112.9430	0.000	1	112.9430	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	112.4200	0.000	1	114.4162	2.722	14	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.7123	2.139	7	114.4162	2.722	14	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.7855	0.183	2	114.4162	2.722	14	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	113.4510	0.692	2	114.4162	2.722	14	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.9740	0.246	2	114.4162	2.722	14	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.5440	0.000	1	114.1338	0.269	6	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.0518	0.534	5	114.1338	0.269	6	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.4065	0.428	6	115.4065	0.183	6	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	114.7390	0.000	1	115.0316	0.421	11	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0609	0.676	10	115.0316	0.421	11	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.0120	0.246	2	114.1177	0.064	3	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.3290	0.000	1	114.1177	0.064	3	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.6590	0.000	1	115.0765	0.183	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3545	0.449	2	115.0765	0.183	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9380	0.000	1	115.0765	0.183	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NIrC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NIrC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5070	0.372	2	116.5070	0.138	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NLiC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NLiC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5490	0.000	1	115.5490	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NMgC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NMgC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2690	0.091	2	115.2690	0.008	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3300	0.364	4	116.3300	0.132	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNiC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNiC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.4585	0.643	2	116.4585	0.413	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC3)	121.7450	0.000	1	121.7450	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	117.3500	0.000	1	117.3500	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	119.5610	0.000	1	118.1151	0.775	33	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	118.2170	0.000	1	118.1151	0.775	33	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	118.2799	0.660	10	118.1151	0.775	33	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.0650	0.000	1	118.1151	0.775	33	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	118.5618	0.510	6	118.1151	0.775	33	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	118.5515	0.549	2	118.1151	0.775	33	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.8230	0.816	6	118.1151	0.775	33	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.2908	1.218	6	118.1151	0.775	33	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	117.9310	0.000	1	117.9310	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.2420	0.000	1	117.9497	1.901	3	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	117.8035	1.917	2	117.9497	1.901	3	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	118.3880	0.000	1	118.5941	0.342	20	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.1860	0.000	1	118.5941	0.342	20	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	118.9376	0.116	7	118.5941	0.342	20	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.8120	0.000	1	118.5941	0.342	20	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.1933	0.736	8	118.5941	0.342	20	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.5410	0.000	1	118.5941	0.342	20	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Ir<7>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.8460	0.000	1	118.5941	0.342	20	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPP)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1860	0.000	1	116.1860	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.1523	1.321	3	117.1523	1.746	3	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPdC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPdC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.4641	0.712	8	116.4641	0.507	8	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPdC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPdC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7212	0.392	17	115.7212	0.154	17	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPdH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPdH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.0877	0.038	3	114.0877	0.001	3	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPtC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPtC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5720	0.558	4	116.5720	0.312	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NRhC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NRhC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9035	0.268	4	115.9035	0.072	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NRuC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NRuC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6960	0.416	7	115.6960	0.173	7	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NSS)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NSS){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	118.7350	0.000	1	118.7350	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NZnC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NZnC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4954	0.864	7	115.4954	0.746	7	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.5080	0.000	1	113.5080	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	113.8795	0.817	2	113.8795	0.667	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8103	0.619	3	115.8103	0.383	3	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6790	0.000	1	115.6790	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(NCC)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHHO)	114.7465	0.356	2	114.7465	0.127	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(NCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.9554	0.811	28	114.9554	0.658	28	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(NCH)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(NCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	116.6040	0.000	1	116.6040	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(NC[6]Pd)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(NC[6]Pd){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8150	0.509	2	114.8150	0.259	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(NNO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(NNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6188	0.394	4	115.6188	0.156	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(NOO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.9734	0.288	5	115.9734	0.083	5	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7565	0.668	18	114.7565	0.446	18	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4355	1.179	2	114.4355	1.389	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.2420	0.000	1	119.0832	4.064	5	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.5110	0.000	1	119.0832	4.064	5	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.2210	2.321	3	119.0832	4.064	5	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.7080	0.000	1	120.7080	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.8245	0.766	2	122.3657	8.903	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	124.5260	0.000	1	122.3657	8.903	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	125.2880	0.000	1	122.3657	8.903	4	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.7170	2.155	2	116.7170	4.645	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.4398	1.715	8	119.4398	2.942	8	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.1285	0.812	26	118.7761	1.509	34	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<5>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.3864	1.646	7	118.7761	1.509	34	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<6>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.3420	0.000	1	118.7761	1.509	34	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	120.6780	0.000	1	120.6780	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	119.7243	0.518	3	119.7243	0.268	3	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	119.6724	1.809	10	119.6724	3.274	10	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CC[3]HH)	121.9280	3.521	2	121.9280	12.400	2	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	122.5645	4.151	2	122.2646	3.212	10	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	122.1896	1.279	8	122.2646	3.212	10	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	122.3380	0.000	1	122.3380	0.000	1	116.3488	5.512	659	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]N)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]N)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	122.5695	6.267	4	122.5695	39.278	4	122.5695	39.278	4	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:Ge-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OGe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(GeClOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OGe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(GeClOO)	119.8790	0.173	2	119.8790	0.030	2	119.9067	0.017	3	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:Ge-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OGe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(GeHOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OGe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(GeHOO)	119.9620	0.000	1	119.9620	0.000	1	119.9067	0.017	3	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(PO3)	120.0420	0.000	1	120.0420	0.000	1	119.4420	0.639	5	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]N)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]N)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(PO3)	119.2920	0.838	4	119.2920	0.702	4	119.4420	0.639	5	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SCOO)	118.7760	0.000	1	118.7760	0.000	1	120.4986	3.110	18	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SCOO)	117.3500	0.000	1	117.3500	0.000	1	120.4986	3.110	18	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	117.3540	0.000	1	117.3540	0.000	1	120.4986	3.110	18	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SCOO)	121.8670	0.000	1	121.8670	0.000	1	120.4986	3.110	18	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	123.0750	0.000	1	120.9851	1.581	9	120.4986	3.110	18	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	120.1273	1.196	4	120.9851	1.581	9	120.4986	3.110	18	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	121.1545	0.681	2	120.9851	1.581	9	120.4986	3.110	18	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	121.4865	0.146	2	120.9851	1.581	9	120.4986	3.110	18	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.4140	0.000	1	118.4140	0.000	1	120.4986	3.110	18	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]N)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]N)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	121.5867	1.208	4	121.5867	1.459	4	120.4986	3.110	18	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	O(C[6a]C[6a]2)(SiC[6a]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiC[6a]2O)	119.3342	0.452	4	119.3342	0.204	4	118.5962	0.714	25	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	O(C[6a]C[6a]2)(SiC[6a]ClO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiC[6a]ClO)	117.5825	0.257	2	117.5825	0.066	2	118.5962	0.714	25	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	O(C[6a]C[6a]2)(SiClCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiClCO)	118.2935	0.578	2	118.2935	0.334	2	118.5962	0.714	25	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiC3)	117.0450	0.014	2	117.0450	0.000	2	118.5962	0.714	25	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	O(C[6a]C[6a]2)(SiC[6a]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiC[6a]2O)	117.7080	0.045	2	117.7080	0.002	2	118.5962	0.714	25	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	O(C[6a]C[6a]2)(SiClOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiClOO)	118.8503	0.080	3	118.8503	0.006	3	118.5962	0.714	25	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	O(C[6a]C[6a]2)(SiSiOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiSiOO)	119.2336	0.223	8	119.2336	0.050	8	118.5962	0.714	25	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPP)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiC3)	117.9445	0.814	2	117.9445	0.662	2	118.5962	0.714	25	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9225	0.149	2	115.6997	0.822	4	115.6997	0.822	4	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3610	0.000	1	115.6997	0.822	4	115.6997	0.822	4	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5930	0.000	1	115.6997	0.822	4	115.6997	0.822	4	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.1930	0.000	1	115.1930	0.000	1	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CC[4]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6a]C[6a]2)(CC[4]HH)	119.7737	0.395	13	119.7737	0.156	13	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[6a]C[6a]2)(CCCH)	116.5450	0.033	2	116.1915	0.386	4	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.8380	0.810	2	116.1915	0.386	4	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6a]C[6a]2)(CCHH)	115.8550	0.000	2	116.4060	0.911	3	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.5080	0.000	1	116.4060	0.911	3	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	115.6390	0.000	1	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2745	0.606	6	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6630	0.000	1	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6a]C[6a]2)(CH3)	116.2790	0.000	1	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(CH3)	118.9870	0.000	1	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<2>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	O(C[6a]C[6a]2)(CH3)	115.7090	0.000	1	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<2>,1|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1600	0.000	1	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1110	0.292	3	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	O(C[6a]C[6a]2)(CH3)	115.6810	0.000	1	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6a]C[6a]2)(CH3)	116.5299	0.934	8	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8430	0.000	1	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6890	0.000	1	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1220	0.065	2	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6570	0.000	1	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.4430	0.000	1	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Os<5>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9690	0.000	1	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.3120	0.000	1	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Se<2>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0160	0.000	1	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.6300	0.158	3	116.2056	0.686	36	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|Ir<6>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	117.6950	0.000	1	117.6950	0.000	1	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	O(C[6a]C[6a]2)(CH3)	116.6550	0.000	1	116.6550	0.000	1	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(N[5]C[5]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6a]C[6a]2)(CCHH)	114.7135	0.271	2	114.7135	0.073	2	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6a]C[6a]2)(CH3)	115.4844	0.311	5	115.5616	0.092	9	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(N[5]C[5]2){1|Cu<2>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6580	0.307	4	115.5616	0.092	9	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(N[5]C[5]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	117.9510	0.171	2	117.9510	0.029	2	116.7968	2.647	72	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OC){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	121.0530	1.690	2	121.0530	2.856	2	118.2600	7.454	15	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7950	0.000	1	116.0905	0.199	6	118.2600	7.454	15	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	O(C[6a]C[6a]2)(CH3)	115.8040	0.000	1	116.0905	0.199	6	118.2600	7.454	15	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.9460	0.000	1	116.0905	0.199	6	118.2600	7.454	15	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9270	0.000	1	116.0905	0.199	6	118.2600	7.454	15	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0355	0.245	2	116.0905	0.199	6	118.2600	7.454	15	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|Br<1>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	123.0530	0.881	2	119.7833	14.775	4	118.2600	7.454	15	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<2>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.5135	0.886	2	119.7833	14.775	4	118.2600	7.454	15	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<2>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.3345	0.306	2	118.7060	1.232	3	118.2600	7.454	15	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.4490	0.000	1	118.7060	1.232	3	118.2600	7.454	15	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	O(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(PC[6a]2O)	118.3750	0.000	1	118.3750	0.000	1	118.3750	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(OC){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	120.3015	0.162	2	120.3015	0.026	2	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.4570	0.000	1	118.4570	0.000	1	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	O(C[6a]C[6a]2)(CH3)	117.1780	0.000	1	115.9245	0.276	58	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9104	0.509	39	115.9245	0.276	58	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9090	0.560	3	115.9245	0.276	58	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6880	0.000	1	115.9245	0.276	58	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6633	0.420	3	115.9245	0.276	58	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5910	0.000	1	115.9245	0.276	58	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7442	0.605	4	115.9245	0.276	58	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6a]C[6a]2)(CH3)	116.6030	0.000	1	115.9245	0.276	58	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6590	0.000	1	115.9245	0.276	58	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.5570	0.000	1	115.9245	0.276	58	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8800	0.000	1	115.9245	0.276	58	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|Se<1>,1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6325	0.262	2	115.9245	0.276	58	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(N[6]C[6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(N[6]C[6]2){1|P<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4830	0.177	2	115.4830	0.031	2	116.0896	0.954	63	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.5710	0.000	1	118.5710	0.000	1	118.5710	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.0580	0.000	1	116.0580	0.000	1	115.8933	0.353	3	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8110	0.816	2	115.8110	0.666	2	115.8933	0.353	3	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCo2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCo2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.9985	0.414	2	113.9985	0.171	2	116.1160	7.394	26	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCu2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCu2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9490	0.180	2	115.9490	0.032	2	116.1160	7.394	26	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCuLi)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OCuLi){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	112.6990	0.280	2	112.6990	0.078	2	116.1160	7.394	26	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OFe2)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OFe2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.3720	0.000	1	115.3720	0.000	1	116.1160	7.394	26	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OMnZn)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OMnZn){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.6280	0.000	1	113.6280	0.000	1	116.1160	7.394	26	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8522	0.728	4	115.3068	1.219	6	116.1160	7.394	26	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(ONi2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.2160	0.969	2	115.3068	1.219	6	116.1160	7.394	26	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OYbH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OYbH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6993	0.916	3	114.6993	0.840	3	116.1160	7.394	26	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OZn2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OZn2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.9110	0.495	2	119.9110	0.245	2	116.1160	7.394	26	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OMn2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OMn2){1|C<3>,2|N<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	120.4980	0.810	4	120.4980	0.656	4	116.1160	7.394	26	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OBeC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OBeC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.2380	0.000	1	119.2380	0.000	1	116.1160	7.394	26	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(OAl2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OAl2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.8665	0.152	2	113.8665	0.023	2	116.1160	7.394	26	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OP)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(ONi2)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OP){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(ONi2){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(PO3)	122.2530	0.000	1	122.2530	0.000	1	122.2530	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0920	0.000	1	116.3315	0.115	2	115.0511	0.487	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.5710	0.000	1	116.3315	0.115	2	115.0511	0.487	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(PC[6]2)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(PC[6]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.6730	0.000	1	115.6730	0.000	1	115.0511	0.487	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8128	0.525	10	114.8128	0.276	10	115.0511	0.487	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]P)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]P){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7260	0.252	2	114.7260	0.063	2	115.0511	0.487	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(PHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9760	0.827	2	114.9760	0.684	2	115.0511	0.487	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(PC[6a]2)	O(C[6a]C[6a]2)(PPdNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(PC[6a]2){3|C<3>}	O(C[6a]C[6a]2)(PPdNO)	115.1935	1.230	2	115.1935	1.512	2	115.1935	1.512	2	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[3x6]2)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[3x6]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiC3)	120.4570	0.000	1	120.4570	0.000	1	120.4570	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P[6]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(P[6]C[6,6]2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(P[6]C[6,6]2){2|H<1>,3|C<3>,6|C<4>}	O(C[6a]C[6a]2)(CH3)	115.7300	0.000	1	115.7300	0.000	1	115.7300	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	120.3695	1.430	2	120.3695	2.046	2	116.8222	3.893	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	116.4090	0.000	1	117.8715	4.278	2	116.8222	3.893	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.3340	0.000	1	117.8715	4.278	2	116.8222	3.893	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7740	0.120	2	115.7427	0.010	3	116.8222	3.893	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6800	0.000	1	115.7427	0.010	3	116.8222	3.893	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3942	0.238	4	115.3942	0.057	4	116.8222	3.893	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	115.6830	0.000	1	115.8280	0.042	2	116.8222	3.893	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9730	0.000	1	115.8280	0.042	2	116.8222	3.893	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SFe2)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SFe2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9545	0.581	2	115.9545	0.337	2	116.8222	3.893	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(SFe2)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(SFe2){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.7140	0.000	1	116.7140	0.000	1	116.8222	3.893	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SC[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SC[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.4110	0.000	1	120.4110	0.000	1	116.8222	3.893	17	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SFe2)	O(C[6a]C[6a]2)(PC[6a]Fe2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SFe2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]Fe2)	123.3515	0.878	2	123.3515	0.770	2	123.1817	0.240	6	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SFe2)	O(C[6a]C[6a]2)(PClFe2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SFe2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PClFe2)	123.1920	0.356	2	123.1920	0.127	2	123.1817	0.240	6	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SFe2)	O(C[6a]C[6a]2)(PFe2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SFe2){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PFe2O)	123.0015	0.422	2	123.0015	0.178	2	123.1817	0.240	6	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.2740	0.000	1	114.2740	0.000	1	114.2740	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2820	0.000	1	115.2820	0.000	1	115.2820	0.000	1	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9120	0.000	1	115.9120	0.000	1	116.1928	0.233	14	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	116.5330	0.000	1	116.2024	0.192	5	116.1928	0.233	14	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1197	0.459	4	116.2024	0.192	5	116.1928	0.233	14	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.7050	0.000	1	116.7050	0.000	1	116.1928	0.233	14	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9275	0.124	2	116.4455	0.364	4	116.1928	0.233	14	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.9635	0.047	2	116.4455	0.364	4	116.1928	0.233	14	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]O)2{1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7190	0.083	2	115.7190	0.007	2	116.1928	0.233	14	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|O<1>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8500	0.000	1	115.8500	0.000	1	116.1928	0.233	14	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.3555	0.456	2	115.3555	0.208	2	117.6673	13.395	27	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CF3)	118.8590	0.000	1	118.8590	0.000	1	117.6673	13.395	27	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.8300	0.324	2	117.0756	0.713	7	117.6673	13.395	27	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.0160	0.000	1	117.0756	0.713	7	117.6673	13.395	27	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8920	0.000	1	117.0756	0.713	7	117.6673	13.395	27	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3740	0.000	1	117.0756	0.713	7	117.6673	13.395	27	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.7935	0.313	2	117.0756	0.713	7	117.6673	13.395	27	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|O<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2{1|H<1>,1|O<1>,2|C<3>,3|N<3>}	O(C[6a]C[6a]2)(CH3)	115.4569	1.120	8	115.4569	1.255	8	117.6673	13.395	27	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(OC)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	120.8180	0.000	1	120.8180	0.000	1	117.6673	13.395	27	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])2(OC)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5a])2(OC){2|N<3>,2|O<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2{1|H<1>,1|O<1>,2|C<3>,3|N<3>}	O(C[6a]C[6a]2)(CH3)	120.4306	5.482	8	120.4306	30.049	8	117.6673	13.395	27	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4040	0.000	1	115.9593	0.327	3	116.0998	0.923	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|B<4>,2|C<3>,2|H<1>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2370	0.437	2	115.9593	0.327	3	116.0998	0.923	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](N[6]B[6]N[6])(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]O)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4695	0.761	4	115.4695	0.578	4	116.0998	0.923	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2220	0.000	1	115.2220	0.000	1	116.0998	0.923	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,5|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.0265	0.292	2	116.0265	0.085	2	116.0998	0.923	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	117.0965	0.535	2	117.0965	0.287	2	116.0998	0.923	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(OC)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	118.0730	0.000	1	118.0730	0.000	1	116.0998	0.923	13	117.1897	5.267	4342	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-5:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PIrOSS)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(PIrOSS)	119.5625	0.504	2	119.5625	0.254	2	119.5625	0.254	2	118.8837	0.765	20	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Nb-5:	C[6a](C[6a]C[6a]2)2(ONb)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(NbC3O)	C[6a](C[6a]C[6a]2)2(ONb){7|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){3|H<1>,6|C<3>}	O(C[6a]C[6a]2)(NbC3O)	119.4908	0.644	4	119.4908	0.415	4	118.8083	0.780	18	118.8837	0.765	20	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Nb-5:	C[6a](C[6a]C[6a]2)2(ONb)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(NbCl2CO)	C[6a](C[6a]C[6a]2)2(ONb){7|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){3|H<1>,6|C<3>}	O(C[6a]C[6a]2)(NbCl2CO)	118.7413	0.783	4	118.7413	0.613	4	118.8083	0.780	18	118.8837	0.765	20	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Nb-5:	C[6a](C[6a]C[6a]2)2(ONb)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(NbCl3O)	C[6a](C[6a]C[6a]2)2(ONb){7|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){3|H<1>,6|C<3>}	O(C[6a]C[6a]2)(NbCl3O)	117.8855	1.124	4	117.8855	1.263	4	118.8083	0.780	18	118.8837	0.765	20	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Nb-5:	C[6a](C[6a]C[6a]2)2(ONb)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(NbClCCO)	C[6a](C[6a]C[6a]2)2(ONb){7|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){3|H<1>,6|C<3>}	O(C[6a]C[6a]2)(NbClCCO)	119.1457	0.374	4	119.1457	0.140	4	118.8083	0.780	18	118.8837	0.765	20	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Nb-5:	C[6a](C[6a]C[6a]2)2(ONb)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]2)(NbI3O)	C[6a](C[6a]C[6a]2)2(ONb){7|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){3|H<1>,6|C<3>}	O(C[6a]C[6a]2)(NbI3O)	118.7480	0.475	2	118.7480	0.226	2	118.8083	0.780	18	118.8837	0.765	20	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	3:6:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Nb-6:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ONb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	O(C[6a]C[6a]2)(NbF5)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ONb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(NbF5)	119.9820	0.000	1	119.9820	0.000	1	119.9820	0.000	1	119.9820	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	B[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[3x6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[3x6]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	119.2400	0.442	4	119.2400	0.196	4	119.2400	0.196	4	120.2912	2.984	35	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(B[5]C[5,6a]N[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[5]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(B[5]C[5,6a]N[5,5]O)(C[6a]C[6a]2)	120.6885	1.460	4	120.6885	2.132	4	120.7328	0.896	10	120.2912	2.984	35	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[5]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	120.7623	0.576	6	120.7623	0.332	6	120.7328	0.896	10	120.2912	2.984	35	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[6]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	121.4102	1.533	4	121.4102	2.350	4	121.4102	2.350	4	120.2912	2.984	35	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[5]C[5,6]O[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(C[5]C[5,6]O[5]O)(C[6a]C[6a]2)	121.0180	2.315	2	121.0180	5.360	2	121.0180	5.360	2	120.2912	2.984	35	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	119.3850	0.000	1	119.3850	0.000	1	119.3850	0.000	1	120.2912	2.984	35	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	Si[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(Si[5]C[5]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	O(Si[5]C[5]2O)(C[6a]C[6a]2)	123.8485	0.390	2	123.8485	0.152	2	123.8485	0.152	2	120.2912	2.984	35	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	Si[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	O(Si[6]C[6a]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	O(Si[6]C[6a]N[6]O[6])(C[6a]C[6a]2)	122.3295	0.052	2	122.3295	0.003	2	122.3295	0.003	2	120.2912	2.984	35	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP[5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(P[5]O[5]2Rh)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(P[5]O[5]2Rh)(C[6a]C[6a]2)	118.8005	1.295	2	118.8005	1.676	2	118.8005	1.676	2	120.2912	2.984	35	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	118.0185	0.030	2	118.6107	0.667	8	118.6107	0.667	8	120.2912	2.984	35	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	120.1870	0.000	1	118.6107	0.667	8	118.6107	0.667	8	120.2912	2.984	35	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	118.7785	1.059	2	118.6107	0.667	8	118.6107	0.667	8	120.2912	2.984	35	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(C[5]C[5]2Fe)(C[6a]C[6a]2)	118.3683	0.252	3	118.6107	0.667	8	118.6107	0.667	8	120.2912	2.984	35	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	Ga[5,5]-5:C[6a]-3:	C[6a](C[6a]C[6a]2)2(OGa[5,5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(Ga[5,5]N[5,6]2O[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(OGa[5,5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(Ga[5,5]N[5,6]2O[5]2)(C[6a]C[6a]2)	120.1455	1.158	2	120.1455	1.340	2	120.1455	1.340	2	120.1455	1.340	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	Si[6,6]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[6,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	O(Si[6,6]C[6a]N[6]2O[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[6,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	O(Si[6,6]C[6a]N[6]2O[6]2)(C[6a]C[6a]2)	117.4650	0.000	1	117.4650	0.000	1	117.4650	0.000	1	119.1516	2.379	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	Nb-6:C[6a]-3:	C[6a](C[6a]C[6a]2)2(ONb)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(NbN[6]Cl2NO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(ONb){7|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){3|H<1>,6|C<3>}	O(NbN[6]Cl2NO)(C[6a]C[6a]2)	119.2097	1.275	4	119.2097	1.625	4	119.2097	1.625	4	119.1516	2.379	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:3:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	Nb[5]-6:C[6a]-3:	C[6a](C[6a]C[6a]2)2(ONb[5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(Nb[5]O[5]2Cl2N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(ONb[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(Nb[5]O[5]2Cl2N)(C[6a]C[6a]2)	119.8785	2.341	2	119.8785	5.481	2	119.8785	5.481	2	119.1516	2.379	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCHH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OH){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCHH){2|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	115.7660	0.000	1	115.7660	0.000	1	115.7660	0.000	1	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]O)(CH3)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(OH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]O)(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	124.7550	0.000	1	124.7550	0.000	1	124.7550	0.000	1	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(CCCH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(CCCH){1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	119.4780	0.229	2	119.4780	0.052	2	119.5202	4.222	17	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OH){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	118.5100	0.487	5	118.5100	0.237	5	119.5202	4.222	17	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CH3)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	118.3875	0.392	2	118.3875	0.154	2	119.5202	4.222	17	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC3)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	120.3050	0.000	1	120.5995	0.173	2	119.5202	4.222	17	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC3)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	120.8940	0.000	1	120.5995	0.173	2	119.5202	4.222	17	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CH3)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	118.7740	0.000	1	118.7740	0.000	1	119.5202	4.222	17	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	124.8540	0.000	1	124.8540	0.000	1	119.5202	4.222	17	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH){1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	119.5650	0.000	1	119.5650	0.000	1	119.5202	4.222	17	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	117.9700	0.000	1	117.9700	0.000	1	119.5202	4.222	17	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]O)(CH3)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	117.2480	0.000	1	117.2480	0.000	1	119.5202	4.222	17	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]CH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(H)	123.9530	0.000	1	123.9530	0.000	1	119.5202	4.222	17	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:Si-4:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]Si)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]O)(SiC3)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]Si)(OH){1|C<4>,1|S<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]O)(SiC3){2|C<3>,2|H<1>,2|N<3>}	O(C[6a]C[5a,6a]C[6a])(H)	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]C)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]C)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	117.5300	0.000	1	117.5300	0.000	1	117.2740	0.900	6	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.2228	1.051	5	117.2228	1.105	5	117.2740	0.900	6	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCHH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCHH){1|C<4>,3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.5490	0.000	1	119.7490	2.880	2	119.7490	2.880	2	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCHH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCHH){2|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(H)	120.9490	0.000	1	119.7490	2.880	2	119.7490	2.880	2	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]O[6a]O)(CC[6a]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]O[6a]O)(CC[6a]HH){2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	123.6530	0.000	1	123.6530	0.000	1	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	122.4040	0.000	1	122.4040	0.000	1	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.1330	0.000	1	117.1330	0.000	1	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCHO)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCHO){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.2740	0.000	1	117.2740	0.000	1	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CH3)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	116.1710	1.059	2	116.1710	1.122	2	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.1830	0.122	2	117.1717	0.239	7	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.1008	0.667	4	117.1717	0.239	7	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.4330	0.000	1	117.1717	0.239	7	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6]HH){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	121.8830	0.000	1	121.8830	0.000	1	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6a]2H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.8430	0.000	1	118.8430	0.000	1	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.1870	0.000	1	117.4293	0.710	7	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3){3|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.4885	0.243	2	117.4293	0.710	7	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	116.3830	0.000	1	117.4293	0.710	7	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.3910	0.000	1	117.4293	0.710	7	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.0335	0.701	2	117.4293	0.710	7	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]O)(CCHH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]O)(CCHH){2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(H)	116.8590	0.000	1	116.8590	0.000	1	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CH3)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6,6a]C[6a])(H)	125.3115	1.261	2	125.3115	1.590	2	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCCH){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	118.7730	0.491	2	118.7730	0.241	2	118.5469	7.392	27	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]C)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(CH3)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]C)(OH){2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(CH3){1|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	115.8903	0.401	3	115.8903	0.161	3	116.1650	0.409	4	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(CH3)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(OH){2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(CH3){1|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.9890	0.000	1	116.9890	0.000	1	116.1650	0.409	4	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:Si-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]Si)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(SiC3)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]Si)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(SiC3){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.3050	0.000	1	117.3050	0.000	1	117.3050	0.000	1	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCHH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCHH){1|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.1990	0.000	1	119.0563	0.711	4	119.0563	0.711	4	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCHH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCHH){1|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.6753	0.443	3	119.0563	0.711	4	119.0563	0.711	4	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(SCOO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)(OH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(SCOO){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	125.5900	0.000	1	125.5900	0.000	1	125.5900	0.000	1	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(CCHH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(CCHH){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.5530	0.000	1	124.5530	0.000	1	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.1865	0.159	2	117.1865	0.025	2	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.8160	0.000	1	117.8160	0.000	1	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCHO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.6990	0.000	1	119.6990	0.000	1	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]CH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.5250	4.357	2	120.5250	18.985	2	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HN)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.5145	0.896	2	123.5145	0.803	2	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH){1|N<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	120.6320	0.552	2	120.6320	0.304	2	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CCHO)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CCHO){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.3470	0.000	1	124.3470	0.000	1	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.2080	0.000	1	118.1325	2.426	11	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.3133	0.037	3	118.1325	2.426	11	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.5858	0.657	5	118.1325	2.426	11	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	115.1905	0.062	2	118.1325	2.426	11	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.4035	0.056	2	119.4035	0.003	2	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CHHS)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CHHS){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	119.7200	0.000	1	119.7200	0.000	1	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	125.1285	0.192	2	122.6937	17.804	3	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.8240	0.000	1	122.6937	17.804	3	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	125.9090	0.000	1	125.9090	0.000	1	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCHH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCHH){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	116.4380	0.000	1	116.4380	0.000	1	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCHN)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCHN){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.6650	0.000	1	123.6650	0.000	1	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCHS)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCHS){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	125.0580	0.000	1	125.0580	0.000	1	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]2H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]2H){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.4137	0.302	4	124.4137	0.091	4	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]HH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]HH){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.4595	0.211	2	123.4595	0.045	2	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]2H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]2H){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(H)	119.7090	1.215	2	119.7090	1.476	2	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHHN)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHHN){1|Cl<1>,1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(H)	120.6235	4.017	2	120.6235	16.137	2	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]C[6a])(H)	121.5970	0.000	1	121.5970	0.000	1	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(OH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(H)	117.6170	0.000	1	117.6170	0.000	1	120.7049	9.557	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(C[6]C[6]2H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	O(C[6a]C[6a,6a]C[6a])(H)	116.2090	0.000	1	116.2090	0.000	1	116.2090	0.000	1	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(SO3){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.4220	0.000	1	122.4220	0.000	1	122.4220	0.000	1	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OH)	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.3640	0.000	1	122.3640	0.000	1	117.9242	6.200	6	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	116.1690	0.000	1	116.1690	0.000	1	117.9242	6.200	6	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	115.1010	0.000	1	115.1010	0.000	1	117.9242	6.200	6	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.3310	0.000	1	118.3310	0.000	1	117.9242	6.200	6	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<4>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.9270	0.000	1	117.7900	0.038	2	117.9242	6.200	6	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>,3|O<2>}	O(C[6a]C[6a]2)(H)	117.6530	0.000	1	117.7900	0.038	2	117.9242	6.200	6	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Br)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CHHN){1|Br<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.0123	0.677	3	118.0123	0.459	3	118.1134	0.916	8	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.8090	0.000	1	117.8090	0.000	1	118.1134	0.916	8	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[6a]CH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.8080	0.000	1	116.8080	0.000	1	118.1134	0.916	8	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CH3){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.7380	0.000	1	117.7380	0.000	1	118.1134	0.916	8	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CC[6]HH){1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.2575	0.954	2	119.2575	0.910	2	118.1134	0.916	8	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:Si-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(OH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(SiC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(OH){1|Si<4>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(SiC3){4|C<3>}	O(C[6a]C[6a]2)(H)	122.5040	0.000	1	122.5040	0.000	1	122.5040	0.000	1	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(H)	117.0340	0.000	1	117.0340	0.000	1	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(CH3){2|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	121.2050	0.000	1	121.2050	0.000	1	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	114.8680	0.000	1	116.9326	4.140	14	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.9200	0.215	2	116.9326	4.140	14	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.6391	2.700	7	116.9326	4.140	14	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,4|C<4>}	O(C[6a]C[6a]2)(H)	116.2188	0.291	4	116.9326	4.140	14	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CC[6]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CC[6]CH){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.8390	0.031	2	119.8390	0.001	2	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	115.7615	1.395	4	115.7615	1.947	4	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Cl)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Cl)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.8047	0.992	4	121.8047	0.985	4	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Cl)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Cl)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CN[6]HH){1|Cl<1>,1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.5910	0.000	1	122.5910	0.000	1	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCCH){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.8698	0.405	6	117.8698	0.164	6	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.6890	0.000	1	118.6890	0.000	1	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6650	0.000	1	116.6650	0.000	1	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.3420	0.000	1	117.3420	0.000	1	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.9430	0.000	1	116.9430	0.000	1	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.1710	0.000	1	118.1555	2.062	2	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.1400	0.000	1	118.1555	2.062	2	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)2(OH)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCHH){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	117.1920	0.000	1	117.1920	0.000	1	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)2(OH)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]2H){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	117.3890	0.000	1	117.3890	0.000	1	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)2(OH)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	116.7060	0.000	1	116.7060	0.000	1	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]C)(OH)	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]C)(OH){3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	115.7510	0.000	1	115.7510	0.000	1	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	114.1800	0.000	1	114.1800	0.000	1	117.7777	5.176	44	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.8359	0.476	74	118.8359	0.226	74	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.3130	0.000	1	116.3130	0.000	1	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC3){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.9917	0.859	3	121.9917	0.738	3	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	115.7490	0.000	1	115.7490	0.000	1	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCCH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.8390	0.000	1	117.8390	0.000	1	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.2900	0.000	1	118.2900	0.000	1	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.7260	0.000	1	117.7260	0.000	1	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.1764	3.243	5	122.1764	10.517	5	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]CH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.1870	0.000	1	117.1870	0.000	1	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.2373	2.846	27	121.2373	8.102	27	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.4290	0.000	1	121.4290	0.000	1	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.5426	2.104	5	119.5426	4.428	5	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHP)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHP){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.5265	0.619	2	118.5265	0.383	2	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHNP)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHNP){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.1340	0.000	1	118.1340	0.000	1	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	119.9070	2.891	2	119.9070	8.356	2	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[6]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.8220	0.085	3	122.8220	0.007	3	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CHHN){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.1685	0.443	2	122.1685	0.197	2	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HN){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.1300	0.000	1	117.1300	0.000	1	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.9130	0.066	2	116.9130	0.004	2	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHN){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.3130	0.000	1	118.8137	10.490	3	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHN){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.0640	1.616	2	118.8137	10.490	3	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CN[6]HH){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.3530	0.000	1	121.3530	0.000	1	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCCH){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.5987	0.398	3	121.5987	0.158	3	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	119.4430	0.000	1	119.4430	0.000	1	119.6279	4.355	142	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]2H){4|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	122.4010	0.000	1	122.4010	0.000	1	122.4920	0.017	2	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]O[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]O[6a]O)(OH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(H)	122.5830	0.000	1	122.5830	0.000	1	122.4920	0.017	2	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(PO3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(PO3){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	124.6200	0.000	1	124.6200	0.000	1	124.6200	0.000	1	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(SO3){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.8140	0.632	2	122.8140	0.400	2	122.8140	0.400	2	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2Pt)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2Pt){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.8893	0.853	4	116.8893	0.728	4	116.8893	0.728	4	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.7797	1.851	3	118.7797	3.427	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.4960	0.000	1	119.4960	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	116.5940	0.694	2	116.5940	0.482	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.4818	0.552	5	116.4818	0.305	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	116.9560	0.245	2	116.9560	0.060	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.8200	1.270	2	119.3486	5.833	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.0343	0.450	3	119.3486	5.833	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.0600	0.000	1	119.0600	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.5410	0.000	1	117.5410	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(H)	117.0220	0.000	2	117.0220	0.000	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.8983	0.406	6	118.9207	0.118	9	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.9653	0.234	3	118.9207	0.118	9	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.4770	0.000	1	117.4770	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.4920	0.000	1	122.4920	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.1010	0.000	1	117.1010	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.4663	2.361	11	120.4663	5.575	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	O(C[6a]C[6a]2)(H)	123.7250	0.000	1	123.7250	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCCH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.9195	0.356	2	116.9195	0.127	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6]HH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.3960	0.000	1	117.3960	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6a]2H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.0960	0.000	1	122.0960	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.2390	4.680	2	117.6194	6.183	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.1950	0.000	1	117.6194	6.183	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3){3|C<3>}	O(C[6a]C[6a]2)(H)	117.7120	0.134	2	117.6194	6.183	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	O(C[6a]C[6a]2)(H)	115.0750	0.000	1	115.0750	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	116.5620	0.000	1	116.5620	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.4802	0.539	4	117.4802	0.291	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.5920	0.279	2	117.3146	0.208	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.9910	0.000	1	117.3146	0.208	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.1990	0.684	2	117.3146	0.208	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.4913	0.376	3	120.3098	9.030	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.0375	0.378	2	120.3098	9.030	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.0160	0.000	1	117.0160	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6265	0.087	2	116.6265	0.008	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1620	0.553	3	117.1620	0.306	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	116.2650	0.000	1	116.2650	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.3910	0.000	1	117.3910	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.0460	0.000	1	122.9053	17.711	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	125.3350	0.052	2	122.9053	17.711	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.9880	0.000	1	117.9880	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCHH){3|C<3>}	O(C[6a]C[6a]2)(H)	115.9730	0.212	3	115.9730	0.045	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	O(C[6a]C[6a]2)(H)	115.0820	0.000	1	115.0820	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.4450	0.000	1	115.2572	7.070	6	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	113.1053	0.742	3	115.2572	7.070	6	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){3|C<3>}	O(C[6a]C[6a]2)(H)	116.3910	0.496	2	115.2572	7.070	6	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.2500	0.000	1	120.2500	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHN){3|C<3>}	O(C[6a]C[6a]2)(H)	119.8500	0.706	2	119.8500	0.498	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHP)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHP){3|C<3>}	O(C[6a]C[6a]2)(H)	120.5677	0.887	6	120.5677	0.786	6	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCCO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCCO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.2550	0.000	1	116.2550	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.1640	0.000	1	116.1515	0.000	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.1390	0.000	1	116.1515	0.000	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6035	0.144	2	116.6035	0.021	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){3|C<3>}	O(C[6a]C[6a]2)(H)	122.3630	0.000	1	122.3630	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.5950	0.000	1	118.1693	0.238	8	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.0050	0.000	1	118.1693	0.238	8	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.5533	0.300	4	118.1693	0.238	8	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.0280	0.000	1	118.1693	0.238	8	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.5130	0.000	1	118.1693	0.238	8	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.0175	0.117	2	117.0175	0.014	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.3505	1.012	2	116.3505	1.024	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.0143	2.328	3	118.0143	5.422	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	117.0240	0.000	1	117.0240	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	117.5320	0.000	1	117.8865	0.251	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	118.2410	0.000	1	117.8865	0.251	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH){1|Br<1>,1|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	117.6330	0.000	1	117.6330	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	120.5889	2.889	48	120.5889	8.345	48	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){2|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	116.9340	0.957	2	116.9340	0.917	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.3960	0.000	1	121.3960	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.6780	0.000	1	116.2120	0.434	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.7460	0.000	1	116.2120	0.434	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.6475	0.050	2	116.8237	0.094	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.1760	0.000	1	116.8237	0.094	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.7720	0.000	1	116.7720	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.0973	0.639	3	122.0973	0.408	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.1402	0.701	4	117.1402	0.491	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	118.6160	0.000	1	118.9788	0.487	13	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.5447	1.369	3	118.9788	0.487	13	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.5020	0.260	2	118.9788	0.487	13	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.0900	0.000	1	118.9788	0.487	13	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.9522	0.290	5	118.9788	0.487	13	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.6200	0.000	1	118.9788	0.487	13	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.2020	0.000	1	117.4708	0.390	6	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.4290	0.000	1	117.4708	0.390	6	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.2250	0.000	1	117.4708	0.390	6	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	116.8470	0.000	1	117.4708	0.390	6	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.0610	0.854	2	117.4708	0.390	6	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.1890	0.000	1	117.8251	2.557	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.5260	0.000	1	117.8251	2.557	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	117.8540	0.000	1	117.8251	2.557	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	116.5040	0.000	1	117.8251	2.557	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.8560	1.579	6	117.8251	2.557	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.8670	0.000	1	117.8251	2.557	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.0265	0.692	2	121.1021	7.201	42	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.1860	0.150	4	121.1021	7.201	42	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.2289	2.353	19	121.1021	7.201	42	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.7729	2.005	17	121.1021	7.201	42	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.3590	0.000	1	117.1113	1.214	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	116.5990	0.000	1	117.1113	1.214	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.3760	0.000	1	117.1113	1.214	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.9890	0.000	1	117.9890	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.3000	0.000	1	118.3000	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.1590	0.000	1	119.4315	21.419	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	122.7040	0.000	1	119.4315	21.419	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.7750	0.000	1	123.7750	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.3960	0.000	1	117.3960	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.4140	0.000	1	117.4140	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.2840	0.000	1	118.7007	4.667	13	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.1371	2.257	10	118.7007	4.667	13	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.0960	0.000	1	118.7007	4.667	13	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.3580	0.000	1	118.7007	4.667	13	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.9993	3.024	3	118.8324	5.971	8	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.4340	0.510	4	118.8324	5.971	8	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.9250	0.000	1	118.8324	5.971	8	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.6663	0.272	8	117.8032	1.791	39	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.8955	0.029	2	117.8032	1.791	39	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.5340	0.000	1	117.8032	1.791	39	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.1650	0.000	1	117.8032	1.791	39	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.9075	1.584	27	117.8032	1.791	39	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.8860	0.000	1	121.8860	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.7260	0.000	1	119.4177	5.615	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.3150	2.891	3	119.4177	5.615	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.8440	2.372	2	119.8905	6.449	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.9043	2.566	236	119.8905	6.449	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.0815	0.934	2	119.8905	6.449	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.7420	0.427	2	119.8905	6.449	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.0793	2.009	4	119.8905	6.449	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.0702	2.893	28	120.8995	7.804	34	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.7657	1.990	4	120.8995	7.804	34	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.7770	3.700	2	120.8995	7.804	34	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.0930	0.000	1	117.9061	4.188	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.0874	2.062	10	117.9061	4.188	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.2540	0.815	2	122.2540	0.664	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCdOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCdOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.9395	0.244	2	121.9395	0.060	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CEuOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CEuOO){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	121.8050	0.000	1	121.8050	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.8700	0.154	2	118.0082	5.157	48	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	117.5410	2.871	8	118.0082	5.157	48	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.5785	0.078	2	118.0082	5.157	48	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.9830	0.000	1	118.0082	5.157	48	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Se<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.2730	0.000	1	118.0082	5.157	48	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.6885	0.302	2	118.0082	5.157	48	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.9746	2.688	14	118.0082	5.157	48	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	116.7580	1.177	2	118.0082	5.157	48	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.0615	3.666	2	118.0082	5.157	48	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.6106	0.585	7	118.0082	5.157	48	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.7778	0.331	6	118.0082	5.157	48	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	123.3130	0.000	1	118.0082	5.157	48	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.2760	0.000	1	118.9177	5.452	104	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.7953	0.544	6	118.9177	5.452	104	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.1370	2.169	4	118.9177	5.452	104	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.0132	2.244	9	118.9177	5.452	104	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	117.6151	1.909	7	118.9177	5.452	104	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.2488	1.836	4	118.9177	5.452	104	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	121.2840	0.000	1	118.9177	5.452	104	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.6669	2.395	69	118.9177	5.452	104	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.2055	1.945	2	118.9177	5.452	104	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.7190	0.000	1	118.9177	5.452	104	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.7020	0.000	1	117.2224	0.242	7	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.3625	0.559	2	117.2224	0.242	7	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	116.9530	0.243	2	117.2224	0.242	7	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.1120	0.799	2	117.2224	0.242	7	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.4270	0.000	1	117.4035	0.001	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.3800	0.000	1	117.4035	0.001	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.8098	2.091	5	117.8098	4.372	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOP)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.1230	0.000	1	117.1230	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHSS)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHSS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.3140	0.000	1	118.3140	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNOV)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNOV){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	123.1993	0.806	7	123.1993	0.649	7	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.7447	0.868	3	116.7447	0.753	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.4297	1.607	3	118.4297	2.584	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.7610	0.000	1	121.1072	1.035	37	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.5260	0.875	7	121.1072	1.035	37	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.2458	0.576	6	121.1072	1.035	37	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(H)	121.0780	1.442	2	121.1072	1.035	37	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.8190	0.294	2	121.1072	1.035	37	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.5931	1.567	10	121.1072	1.035	37	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.9915	0.248	2	121.1072	1.035	37	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.0487	0.451	7	121.1072	1.035	37	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.6413	1.229	3	116.6917	1.018	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.8430	0.000	1	116.6917	1.018	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]2H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.9400	0.000	1	122.1985	0.134	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.4570	0.000	1	122.1985	0.134	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.4610	0.000	1	121.2470	1.611	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.7900	0.124	2	121.2470	1.611	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.5080	0.000	1	121.2470	1.611	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	117.6150	0.000	1	121.2470	1.611	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.5390	0.081	2	121.2470	1.611	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.7643	0.779	3	121.2470	1.611	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.1820	0.000	1	121.2470	1.611	11	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNiOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNiOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.0600	0.000	1	121.0600	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CP[6]HN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CP[6]HN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.4990	0.000	1	117.4990	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CPdCC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CPdCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.8860	0.000	1	116.8860	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CRuCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CRuCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.5970	0.000	1	118.5970	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSmOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSmOO){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	121.5470	0.000	1	121.5470	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.6670	0.000	1	116.6670	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(CCCH){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.9690	0.000	1	116.9690	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.0340	0.389	2	117.0340	0.151	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CC[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[5]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6405	0.120	2	116.6405	0.014	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1840	0.000	1	117.1840	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CC[6a]HN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.4750	0.258	3	116.4750	0.067	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CEuOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CEuOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.6213	0.757	4	121.6213	0.573	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.1155	1.259	2	116.7902	0.604	99	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.7835	0.773	97	116.7902	0.604	99	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CHHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.0180	0.000	1	117.0180	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(CSmOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CSmOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.9850	0.672	4	121.9850	0.451	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(H)	119.8905	0.238	2	119.5703	1.138	16	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.5625	1.194	12	119.5703	1.138	16	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.9930	0.000	1	119.5703	1.138	16	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(H)	118.6010	0.000	1	119.5703	1.138	16	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|N<3>}	O(C[6a]C[6a]2)(H)	116.4930	0.802	2	116.4930	0.643	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(H)	117.9840	0.000	1	117.9840	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	121.2494	2.151	5	121.2494	4.628	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(H)	123.0360	0.000	1	123.0360	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.4970	0.000	1	117.4970	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.3205	0.370	2	118.7302	0.275	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	119.1400	0.134	2	118.7302	0.275	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[3]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[3]HH){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	118.7870	0.173	2	118.7870	0.030	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.7390	0.000	1	122.7390	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.7610	0.000	1	121.6486	0.180	12	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.9950	0.000	1	121.6486	0.180	12	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.7027	0.410	10	121.6486	0.180	12	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.3680	0.000	1	119.3680	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.3480	0.000	1	118.5930	0.120	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.8380	0.000	1	118.5930	0.120	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.5335	0.583	2	123.5335	0.340	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HS)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HS){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	116.3710	0.000	1	116.3710	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.2001	0.790	8	118.2001	0.624	8	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	121.4528	2.618	123	121.4528	6.852	123	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.3145	0.074	2	118.3145	0.006	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.9077	1.852	17	118.9077	3.431	17	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHSS)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHSS){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.7910	0.000	1	118.7910	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.7325	0.292	2	117.9035	1.008	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.0745	1.679	2	117.9035	1.008	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<4>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.1030	0.000	1	117.1030	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|P<3>}	O(C[6a]C[6a]2)(H)	117.8890	0.198	3	118.9456	5.253	9	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|P<4>}	O(C[6a]C[6a]2)(H)	119.9284	2.771	5	118.9456	5.253	9	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|H<1>,1|P<3>}	O(C[6a]C[6a]2)(H)	117.2010	0.000	1	118.9456	5.253	9	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(H)	119.1050	2.757	3	119.1050	7.604	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(H)	118.2610	0.000	1	118.2610	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(H)	121.3640	0.000	1	121.3640	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(H)	124.2230	0.000	1	124.2230	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<4>,1|N<2>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.1590	0.000	1	121.4890	10.858	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<4>,1|N<2>,1|N<4>}	O(C[6a]C[6a]2)(H)	123.8190	0.000	1	121.4890	10.858	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(H)	122.6210	0.444	2	122.6210	0.197	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|N<2>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.6630	0.000	1	118.6630	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CF3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CF3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.6390	4.814	2	120.6390	23.174	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	122.0350	0.000	1	118.4563	9.648	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.6670	0.291	2	118.4563	9.648	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Bi<4>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	118.2230	4.192	2	118.9029	4.823	455	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.6073	0.133	3	118.9029	4.823	455	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.4729	2.329	8	118.9029	4.823	455	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.8707	0.962	3	118.9029	4.823	455	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(H)	118.2124	1.740	10	118.9029	4.823	455	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.8704	2.383	277	118.9029	4.823	455	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.0487	1.978	112	118.9029	4.823	455	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.9889	0.924	27	118.9029	4.823	455	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.6837	0.452	3	118.9029	4.823	455	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Sn<4>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	118.9350	3.006	8	118.9029	4.823	455	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){3|C<3>}	O(C[6a]C[6a]2)(H)	119.1305	0.483	2	118.9029	4.823	455	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.8665	0.407	2	118.6859	13.152	24	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){3|C<3>}	O(C[6a]C[6a]2)(H)	117.5190	0.000	1	118.6859	13.152	24	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.9147	3.829	21	118.6859	13.152	24	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.9573	0.459	3	117.1693	0.872	6	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){3|C<3>}	O(C[6a]C[6a]2)(H)	116.3813	0.326	3	117.1693	0.872	6	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	116.5895	1.934	4	116.5895	3.741	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	115.9950	0.000	1	115.9950	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.5505	1.018	2	119.5505	1.035	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.6917	0.769	4	121.6917	0.591	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.9468	1.611	27	120.1377	2.558	34	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.8739	1.426	7	120.1377	2.558	34	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.1964	2.098	14	118.2797	4.192	15	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.4460	0.000	1	118.2797	4.192	15	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2N)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2N){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.7335	0.227	4	119.7335	0.051	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.7507	3.373	3	118.5590	7.733	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.9840	0.000	1	118.5590	7.733	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.5490	0.000	1	118.5490	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.0285	0.772	6	118.0285	0.596	6	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.8002	2.493	70	119.8249	6.055	74	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.2180	0.000	1	119.8249	6.055	74	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.2700	0.206	3	119.8249	6.055	74	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.8845	3.093	12	119.2531	6.511	537	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	119.2215	3.498	6	119.2531	6.511	537	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.1951	2.720	248	119.2531	6.511	537	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(H)	119.2595	6.102	2	119.2531	6.511	537	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.2142	3.408	4	119.2531	6.511	537	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.4368	3.582	10	119.2531	6.511	537	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<4>}	O(C[6a]C[6a]2)(H)	119.0441	2.920	45	119.2531	6.511	537	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.5616	2.362	139	119.2531	6.511	537	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.0248	1.422	71	119.2531	6.511	537	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.4105	4.597	2	120.4105	21.132	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.1340	0.000	1	118.1340	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.6940	0.000	1	118.9675	8.134	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	114.6730	0.000	1	118.9675	8.134	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	O(C[6a]C[6a]2)(H)	116.3940	0.103	2	118.9675	8.134	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.9390	4.221	2	118.9675	8.134	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.6348	2.621	9	118.9675	8.134	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(H)	118.9681	3.305	14	118.9675	8.134	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.3080	4.210	2	118.9675	8.134	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.5651	3.030	142	118.9675	8.134	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.9517	2.919	22	118.9675	8.134	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.4413	1.341	45	118.9675	8.134	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	O(C[6a]C[6a]2)(H)	118.8440	1.301	6	118.9675	8.134	246	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.3740	0.222	2	119.6808	5.209	92	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	120.6320	0.968	3	119.6808	5.209	92	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.5062	2.327	68	119.6808	5.209	92	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.2074	2.299	9	119.6808	5.209	92	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	119.4307	2.312	6	119.6808	5.209	92	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.2788	1.228	4	119.6808	5.209	92	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.4420	4.583	2	119.3860	8.764	37	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.5745	4.761	4	119.3860	8.764	37	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.3931	2.818	24	119.3860	8.764	37	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.5497	0.624	3	119.3860	8.764	37	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	119.2542	3.584	4	119.3860	8.764	37	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,1|C<4>,1|C<7>}	O(C[6a]C[6a]2)(H)	119.2340	2.557	2	120.6493	9.278	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	123.4800	0.000	1	120.6493	9.278	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.1065	5.322	2	120.3660	8.044	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.5390	1.346	3	120.3660	8.044	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]2H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	113.2400	0.000	1	113.2400	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.9205	0.525	4	119.7312	7.737	23	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.4147	2.957	17	119.7312	7.737	23	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	120.0430	4.688	2	119.7312	7.737	23	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	120.1201	3.891	8	120.1651	16.844	10	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	120.3450	6.749	2	120.1651	16.844	10	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|Br<1>,1|C<2>,1|C<3>}	O(C[6a]C[6a]2)(H)	121.7320	0.000	1	119.0015	2.828	29	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	120.8765	0.405	2	119.0015	2.828	29	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.9503	2.376	10	119.0015	2.828	29	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.7660	0.849	14	119.0015	2.828	29	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.6655	0.036	2	119.0015	2.828	29	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<4>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	O(C[6a]C[6a]2)(H)	117.0470	0.000	1	117.0470	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(CH3){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	114.5737	2.774	9	114.5737	7.696	9	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6]HH){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	119.7575	5.458	2	119.7575	29.791	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CH3){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	124.3794	0.237	7	124.3794	0.056	7	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.4040	0.000	1	115.9885	0.345	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.5730	0.000	1	115.9885	0.345	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CC[5]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[5]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.3950	0.000	1	119.3950	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CC[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6]HH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	119.4885	3.898	2	119.4885	15.197	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.4352	2.436	18	118.7348	6.290	24	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.3905	0.158	4	118.7348	6.290	24	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.1200	0.484	2	118.7348	6.290	24	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.0297	1.085	3	118.1026	5.955	84	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.4277	2.488	66	118.1026	5.955	84	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.3060	1.314	2	118.1026	5.955	84	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.6683	2.355	9	118.1026	5.955	84	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.1685	0.347	4	118.1026	5.955	84	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	117.0534	2.109	16	117.0534	4.449	16	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](C[6a]C[6a]O)2(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CN[6]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.8760	0.000	1	115.8760	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.0885	0.390	2	119.3882	0.887	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.2380	0.000	1	119.3882	0.887	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	120.9700	0.000	1	119.3882	0.887	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.5560	0.000	1	119.3882	0.887	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.4860	0.000	1	118.8510	4.173	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.7680	0.000	1	118.8510	4.173	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	117.0180	0.000	1	118.8510	4.173	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.1320	0.000	1	118.8510	4.173	4	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	122.1835	0.053	2	122.1835	0.003	2	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.1330	0.000	1	118.1330	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.1500	0.000	1	122.1500	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	116.9110	0.000	1	116.9110	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.2070	0.000	1	122.2070	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	122.2900	0.000	1	122.2900	0.000	1	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(H)	121.9340	0.597	3	121.9340	0.357	3	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	119.7320	0.000	1	120.6240	1.359	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	122.1990	0.000	1	120.6240	1.359	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.3963	1.001	3	120.6240	1.359	5	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.3030	3.362	7	120.3030	11.303	7	119.2091	6.711	3024	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Br<1>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	116.7650	0.000	1	116.7087	0.090	3	117.2643	1.294	4	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Cl<1>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	116.3850	0.000	1	116.7087	0.090	3	117.2643	1.294	4	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	116.9760	0.000	1	116.7087	0.090	3	117.2643	1.294	4	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.9310	0.000	1	118.9310	0.000	1	117.2643	1.294	4	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	116.6400	0.000	1	116.6400	0.000	1	116.6400	0.000	1	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[5]N[5]2C)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[5]N[5]2C){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.4354	0.938	5	121.4354	0.879	5	118.1804	4.069	20	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]O[5]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.0080	0.000	1	117.0080	0.000	1	118.1804	4.069	20	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C){1|O<2>,4|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	117.0430	0.000	1	117.0430	0.000	1	118.1804	4.069	20	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	O(C[6a]C[6a]2)(H)	117.3545	0.179	2	117.1599	0.255	11	118.1804	4.069	20	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.1290	0.663	4	117.1599	0.255	11	118.1804	4.069	20	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	116.9140	0.000	1	117.1599	0.255	11	118.1804	4.069	20	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	116.9830	0.959	2	117.1599	0.255	11	118.1804	4.069	20	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,3|H<1>,4|C<4>}	O(C[6a]C[6a]2)(H)	117.4390	0.000	1	117.1599	0.255	11	118.1804	4.069	20	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|Cl<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.2150	0.000	1	117.1599	0.255	11	118.1804	4.069	20	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.3680	0.000	1	116.3680	0.000	1	118.1804	4.069	20	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C[5])(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]S[5]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C[5])(OH){1|C<3>,2|N<2>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]S[5]2H){1|C<3>,1|N<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	117.2540	0.000	1	117.2540	0.000	1	118.1804	4.069	20	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[6]N[6]2C)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[6]N[6]2C){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.3635	0.244	2	121.3635	0.060	2	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.2680	0.000	1	118.2680	0.000	1	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){2|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.9440	0.000	1	123.9440	0.000	1	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<2>,2|C<3>,6|H<1>}	O(C[6a]C[6a]2)(H)	116.3915	0.148	2	117.4521	0.680	9	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(H)	117.1330	0.443	2	117.4521	0.680	9	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(H)	117.4105	0.122	2	117.4521	0.680	9	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	O(C[6a]C[6a]2)(H)	118.3997	0.169	3	117.4521	0.680	9	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	116.4730	0.000	1	119.5055	7.676	11	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	121.6450	0.000	1	119.5055	7.676	11	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|Br<1>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	116.4425	0.404	2	119.5055	7.676	11	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	120.6770	0.000	1	119.5055	7.676	11	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|C<3>,2|N<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	122.4030	1.014	2	119.5055	7.676	11	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|N<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.6930	0.000	1	119.5055	7.676	11	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	121.9700	0.228	2	119.5055	7.676	11	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.4420	0.000	1	119.5055	7.676	11	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.2970	0.000	1	117.2970	0.000	1	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	118.9702	2.611	4	118.9702	6.818	4	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	O(C[6a]C[6a]2)(H)	117.6860	0.000	1	117.6860	0.000	1	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O){1|C<3>,1|C<4>,1|O<2>,2|N<3>,2|O<1>}	O(C[6a]C[6a]2)(H)	117.5060	1.656	2	117.5060	2.742	2	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.1720	0.000	1	122.3545	0.067	2	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	122.5370	0.000	1	122.3545	0.067	2	119.0339	5.988	34	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	117.2610	0.000	1	117.2610	0.000	1	117.1996	2.328	29	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.9330	0.000	1	116.9330	0.000	1	117.1996	2.328	29	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.0440	0.000	1	116.0440	0.000	1	117.1996	2.328	29	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	115.3540	0.341	2	116.8673	1.306	18	117.1996	2.328	29	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(H)	116.5040	0.246	2	116.8673	1.306	18	117.1996	2.328	29	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.7973	1.468	6	116.8673	1.306	18	117.1996	2.328	29	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	116.7100	0.639	2	116.8673	1.306	18	117.1996	2.328	29	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.6153	0.276	6	116.8673	1.306	18	117.1996	2.328	29	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNiCC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNiCC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.3320	0.000	1	119.3320	0.000	1	117.1996	2.328	29	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPtCH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPtCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.8940	0.000	1	117.8940	0.000	1	117.1996	2.328	29	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	C[6a](C[6a]C[6a]O)2(NH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(NH3){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(H)	116.9485	1.276	2	116.9485	1.629	2	117.1996	2.328	29	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]O)2(NH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,1|N<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(NH3){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(H)	116.3145	0.213	2	116.3145	0.045	2	117.1996	2.328	29	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(OH)	C[6a](C[6a]C[6a]O)2(NH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(NH3){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]2)(H)	120.5925	2.856	2	120.5925	8.157	2	117.1996	2.328	29	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]PdC)	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]PdC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C)	115.0030	0.000	1	115.0030	0.000	1	115.0030	0.000	1	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(PC[6a]2O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(PC[6a]2O){3|C<3>}	O(C[6a]C[6a]2)(H)	118.7334	3.143	8	118.7334	9.876	8	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(H)	117.1460	0.000	1	120.3393	7.662	3	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.9360	0.170	2	120.3393	7.662	3	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Re)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Re){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	114.3250	0.000	1	114.3250	0.000	1	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Rh)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Rh){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	117.0200	0.000	1	117.0200	0.000	1	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PO3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PO3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	121.8870	0.000	1	121.8870	0.000	1	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(PC[6a]2O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(PC[6a]2O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	123.3570	0.000	1	123.3570	0.000	1	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.8610	0.000	1	116.8610	0.000	1	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PCNO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PCNO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.2960	0.000	1	119.2960	0.000	1	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6]2O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6]2O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	116.8910	0.000	1	116.8910	0.000	1	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	116.9630	0.000	1	117.8607	0.398	4	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.9070	0.000	1	117.8607	0.398	4	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	118.1780	0.000	1	117.8607	0.398	4	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	118.3950	0.000	1	117.8607	0.398	4	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Pd)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Pd){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.3100	0.000	1	117.3100	0.000	1	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Re)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Re){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.8080	0.000	1	117.4440	0.107	3	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Re)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Re){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.2620	0.124	2	117.4440	0.107	3	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.4020	0.000	1	117.4020	0.000	1	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PO3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PO3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.1760	0.000	1	117.1760	0.000	1	118.4352	6.159	28	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(SO3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.5820	0.000	1	123.5820	0.000	1	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(OH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(SO3){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(H)	124.7240	0.000	1	124.7240	0.000	1	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	119.1660	0.000	1	119.1660	0.000	1	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.0950	0.000	1	118.0950	0.000	1	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(H)	117.7950	0.949	2	120.0292	6.670	33	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.5590	0.000	1	120.0292	6.670	33	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	119.1740	0.000	1	120.0292	6.670	33	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	121.7085	1.859	2	120.0292	6.670	33	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	121.4198	3.092	15	120.0292	6.670	33	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.4938	0.357	12	120.0292	6.670	33	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCOO){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(H)	120.1200	0.000	1	120.1200	0.000	1	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3){1|C<3>,1|O<2>,1|S<4>}	O(C[6a]C[6a]2)(H)	123.9980	0.000	1	123.4410	7.792	3	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(H)	123.1625	3.888	2	123.4410	7.792	3	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]S)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6]OO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]S)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6]OO){1|C<3>,1|C<4>,1|S<4>}	O(C[6a]C[6a]2)(H)	122.4110	0.000	1	122.4110	0.000	1	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]S)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]S)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO){1|C<3>,1|C<4>,1|S<4>}	O(C[6a]C[6a]2)(H)	121.6330	0.000	1	121.6330	0.000	1	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]S)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]S)2(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO){1|C<3>,1|C<4>,1|S<4>}	O(C[6a]C[6a]2)(H)	121.0955	6.233	2	121.0955	38.852	2	120.5157	7.769	45	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC3){3|C<3>}	O(C[6a]C[6a]2)(H)	115.0410	0.168	2	115.0410	0.028	2	117.7127	2.692	12	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.8615	0.770	2	118.8615	0.593	2	117.7127	2.692	12	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(H)	118.7532	0.586	4	118.7532	0.344	4	117.7127	2.692	12	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[5a]CC)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[5a]CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.4335	1.460	4	117.4335	2.133	4	117.7127	2.692	12	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CCHH){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.5780	0.000	1	117.5780	0.000	1	118.0248	0.246	22	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	118.1347	0.384	7	118.1347	0.148	7	118.0248	0.246	22	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[6a]2)(H)	117.8572	0.439	9	117.8572	0.193	9	118.0248	0.246	22	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[6a]2)(H)	118.5318	0.390	4	118.5318	0.152	4	118.0248	0.246	22	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|O<1>}	O(C[6a]C[6a]2)(H)	117.1820	0.000	1	117.1820	0.000	1	118.0248	0.246	22	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|H<1>,2|C<3>}	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|S<2>}	O(C[6a]C[6a]2)(H)	118.3690	0.000	1	118.3690	0.000	1	118.4772	0.174	4	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.7335	0.463	2	118.7335	0.215	2	118.4772	0.174	4	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6a]C[6a]2)(H)	118.0730	0.000	1	118.0730	0.000	1	118.4772	0.174	4	119.1862	6.660	3546	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CN)	117.1270	3.693	2	117.1270	13.635	2	117.1270	13.635	2	118.8278	5.059	31	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-2:	C[6a](C[6a]C[6a]C)2(OGe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(GeN)	C[6a](C[6a]C[6a]C)2(OGe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(GeN)	122.1955	0.252	4	122.1955	0.064	4	119.5203	2.764	24	118.8278	5.059	31	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-2:	C[6a](C[6a]C[6a]C)2(OGe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(GeO)	C[6a](C[6a]C[6a]C)2(OGe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(GeO)	119.7085	0.656	8	119.7085	0.430	8	119.5203	2.764	24	118.8278	5.059	31	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-2:	C[6a](C[6a]C[6a]C)2(OGe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(GeO)	C[6a](C[6a]C[6a]C)2(OGe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(GeO)	117.7390	0.348	4	118.8516	2.285	8	119.5203	2.764	24	118.8278	5.059	31	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-2:	C[6a](C[6a]C[6a]C)2(OGe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(GeO)	C[6a](C[6a]C[6a]C)2(OGe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(GeO)	119.9643	1.381	4	118.8516	2.285	8	119.5203	2.764	24	118.8278	5.059	31	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-2:	C[6a](C[6a]C[6a]C)2(OGe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(GeN)	C[6a](C[6a]C[6a]C)2(OGe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(GeN)	117.8063	0.211	4	117.8063	0.045	4	119.5203	2.764	24	118.8278	5.059	31	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(NC)	114.3010	0.000	1	114.3010	0.000	1	116.9717	8.536	3	118.8278	5.059	31	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)2(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(NC)	118.3070	2.524	2	118.3070	6.372	2	116.9717	8.536	3	118.8278	5.059	31	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:Ge-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OGe)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC3)	O(C[6a]C[6a]2)(GeO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OGe){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC3){3|C<3>}	O(C[6a]C[6a]2)(GeO)	115.0025	0.769	2	115.0025	0.591	2	115.0025	0.591	2	118.8278	5.059	31	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[4,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[4,6a]O)(C[6a]C[6a]H)(CCCH)	O(C[6a]C[4,6a]C[6a])(CC[5,5,6]O)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[4,6a]O)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[4,6a]C[6a])(CC[5,5,6]O)	120.0600	0.000	1	118.2930	6.245	2	118.2930	6.245	2	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[4,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[4,6a]O)(C[6a]C[6a]H)(CCCH)	O(C[6a]C[4,6a]C[6a])(CC[5,5,6]O)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]O)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[4,6a]C[6a])(CC[5,5,6]O)	116.5260	0.000	1	118.2930	6.245	2	118.2930	6.245	2	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]O[6a]O)(CCHH)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]O[6a]O)(CCHH){1|C<3>,1|C<4>}	O(C[6a]C[5,6a]C[6a])(CCO)	122.1730	0.000	1	122.1730	0.000	1	122.1730	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCO)	121.1530	0.000	1	121.1530	0.000	1	121.1530	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OC){1|C<3>,1|H<1>,1|O<2>,1|S<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(CCO)	118.7830	0.000	1	118.7830	0.000	1	118.7830	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(CC3)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(CC3){4|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	121.6940	0.000	1	121.6940	0.000	1	121.6940	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCO)	118.6170	0.000	1	118.6170	0.000	1	118.6170	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC[6])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Br)(CCHH)	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC[6]){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Br)(CCHH){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	120.4895	0.443	2	120.4895	0.197	2	120.4895	0.197	2	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH)	O(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]2)	120.1980	0.000	1	120.1980	0.000	1	120.1980	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	116.1510	0.000	1	116.1510	0.000	1	116.1510	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	120.8400	0.000	1	120.8400	0.000	1	118.2478	2.271	5	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCH)	117.7400	0.000	1	117.7400	0.000	1	118.2478	2.271	5	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	117.1060	0.000	1	117.1060	0.000	1	118.2478	2.271	5	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHO){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[5,5,6]O)	118.2010	0.000	1	118.2010	0.000	1	118.2478	2.271	5	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CN[5a]HH)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CN[5a]HH){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	117.3520	0.000	1	117.3520	0.000	1	118.2478	2.271	5	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	123.9190	0.000	1	123.9190	0.000	1	123.1740	1.110	2	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	122.4290	0.000	1	122.4290	0.000	1	123.1740	1.110	2	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SC[6a]OO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SC[6a]OO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	117.2130	0.065	2	117.2130	0.004	2	117.8580	1.250	3	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SC[6a]OO)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SC[6a]OO){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.1480	0.000	1	119.1480	0.000	1	117.8580	1.250	3	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	117.7430	0.566	4	117.7430	0.320	4	117.7171	1.670	16	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]N[5])(C[6a]C[6a]2)	117.7085	1.480	12	117.7085	2.190	12	117.7171	1.670	16	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	118.2180	0.853	2	118.2180	0.727	2	118.4140	5.049	15	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]N[6])(C[6a]C[6a]2)	119.9613	3.697	4	119.9613	13.671	4	118.4140	5.049	15	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	117.7699	1.395	9	117.7699	1.945	9	118.4140	5.049	15	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:As-3:	C[6a](C[6a]C[6a]C)2(OAs)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(AsOO)	C[6a](C[6a]C[6a]C)2(OAs){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(AsOO)	118.3237	0.529	3	118.3237	0.280	3	118.8885	0.509	6	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:As-3:	C[6a](C[6a]C[6a]C)2(OAs)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(AsOO)	C[6a](C[6a]C[6a]C)2(OAs){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(AsOO)	119.4533	0.187	3	119.4533	0.035	3	118.8885	0.509	6	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(BC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(BC[6a]2)	116.9600	0.000	1	116.9600	0.000	1	118.6945	3.002	11	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:	C[6a](C[6a]C[6a]C)2(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(BC[5]O)	C[6a](C[6a]C[6a]C)2(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(BC[5]O)	119.2933	2.629	4	119.2933	6.910	4	118.6945	3.002	11	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:	C[6a](C[6a]C[6a]C)2(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(BClFe)	C[6a](C[6a]C[6a]C)2(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(BClFe)	118.6070	1.251	4	118.6070	1.565	4	118.6945	3.002	11	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:	C[6a](C[6a]C[6a]C)2(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(BFeS)	C[6a](C[6a]C[6a]C)2(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(BFeS)	118.5390	0.269	2	118.5390	0.072	2	118.6945	3.002	11	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	116.4660	0.000	1	116.4660	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.6000	0.000	1	117.6000	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]HN)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(COO)	119.2670	0.000	1	119.2670	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	119.0980	0.984	2	119.0980	0.969	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(COO)	118.6852	0.226	4	118.6852	0.051	4	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	118.8800	0.000	1	118.8800	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	118.2662	0.516	4	118.2662	0.266	4	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.6640	0.000	1	118.6640	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CHHO){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.0510	0.000	1	118.0510	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	118.7100	0.000	1	118.7100	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	117.4580	0.000	1	117.4580	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	120.2260	0.000	1	118.9625	3.193	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	117.6990	0.000	1	118.9625	3.193	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	120.0960	0.000	1	120.0960	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	120.4930	0.000	1	120.4930	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5,5,6]O)	118.9540	1.666	2	118.9540	2.775	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	119.1390	0.000	1	119.1390	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]N)	119.8290	0.000	1	119.8290	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.2310	0.000	1	117.2310	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	117.8740	0.000	1	117.8740	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.7030	0.000	1	117.7030	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.1120	0.000	1	118.1120	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CNO)	119.9290	1.315	2	119.9290	1.730	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	118.2223	2.070	3	118.2223	4.285	3	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.1280	0.188	2	118.9163	1.882	3	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	120.4930	0.000	1	118.9163	1.882	3	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CNO)	115.5480	0.000	1	115.5480	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HS)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	121.1240	0.000	1	121.1240	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCdOO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCdOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	121.9090	0.000	1	121.9090	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCuOO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCuOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.1565	0.810	2	118.1565	0.656	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	118.0680	0.000	1	118.0680	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[4]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[4]H)	115.2890	0.000	1	115.2890	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	117.8010	0.000	1	119.2290	4.078	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	120.6570	0.000	1	119.2290	4.078	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.3230	1.511	3	117.9010	1.673	5	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.2680	0.888	2	117.9010	1.673	5	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCH)	115.4400	0.000	1	115.4400	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.3350	0.000	1	118.3350	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOO)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.6240	0.000	1	117.6240	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNiOO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNiOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	119.1170	0.000	1	119.1170	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	117.2370	0.000	1	117.6935	0.417	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.1500	0.000	1	117.6935	0.417	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CHHN)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	117.8185	0.265	2	117.8185	0.070	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|I<1>}	O(C[6a]C[6a]2)(CCO)	119.9795	0.565	2	119.9795	0.319	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]O)	118.4620	0.000	1	118.4620	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	119.4160	0.000	1	119.4160	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	120.9810	0.000	1	120.9810	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CNO)	119.8930	0.000	1	119.8930	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CCO)	120.2330	0.000	1	120.2330	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(CH3){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	117.1490	0.000	1	117.1490	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	117.7600	0.000	1	117.7600	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	117.5800	0.830	2	117.5800	0.689	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]O)	117.4510	0.000	1	117.4510	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCO)	118.0460	0.833	2	118.0460	0.694	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]CH)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]CH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CNO)	118.3220	0.465	2	118.3220	0.216	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCO)	118.1513	1.498	6	118.3585	1.471	10	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCO)	118.6693	0.676	4	118.3585	1.471	10	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[6a]O)	118.0925	1.143	2	118.0925	1.307	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCO)	118.3177	1.713	4	118.1868	1.818	6	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]2)(CCO)	117.9250	0.276	2	118.1868	1.818	6	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[5]O)	117.6180	0.144	2	117.6180	0.021	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]O)	117.5085	1.422	2	117.5085	2.022	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	117.7210	2.319	2	117.7210	5.379	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CNN)	117.5445	0.269	2	117.5445	0.073	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CNS)	117.8480	0.307	4	117.8480	0.094	4	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCO)	118.9035	0.320	2	118.9035	0.103	2	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CIrH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CIrH)	118.2890	0.000	1	118.2890	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(OC){1|Cl<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)(CCHH){1|C<3>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]O)	119.3270	0.000	1	119.3270	0.000	1	118.3830	1.624	110	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C)2(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]C)2(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[5]N[5]2)	117.2460	2.745	4	117.2460	7.534	4	117.2460	7.534	4	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2)	118.1700	0.000	1	118.1700	0.000	1	118.1700	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)2	117.9750	0.000	1	117.9750	0.000	1	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.1260	0.000	1	116.1260	0.000	1	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	124.3610	0.000	1	124.3610	0.000	1	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.6080	0.000	1	118.5100	0.079	4	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.4773	0.334	3	118.5100	0.079	4	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	116.1370	0.000	1	116.1370	0.000	1	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	115.9250	0.000	1	117.6277	2.307	4	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.1953	1.236	3	117.6277	2.307	4	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.6767	0.735	3	118.7998	2.767	5	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.9700	0.000	1	118.7998	2.767	5	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	120.9990	0.000	1	118.7998	2.767	5	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.3900	1.872	3	117.3900	3.503	3	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	117.6820	0.000	1	117.6820	0.000	1	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HN)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	119.9980	0.000	1	119.9980	0.000	1	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	119.3811	0.485	7	119.3811	0.235	7	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.4409	0.604	8	118.4409	0.365	8	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)2	118.9200	1.423	6	118.7391	1.694	8	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	118.1965	0.975	2	118.7391	1.694	8	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.8211	1.584	10	117.8211	2.508	10	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	117.6880	4.366	2	117.2802	5.906	5	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	117.0083	1.416	3	117.2802	5.906	5	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)2	118.6060	0.000	1	118.7665	0.052	2	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.9270	0.000	1	118.7665	0.052	2	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	117.9830	0.489	2	117.9830	0.239	2	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.0913	0.535	4	117.0913	0.287	4	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.1010	0.000	1	118.1010	0.000	1	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.0520	0.000	1	116.4973	0.425	3	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	116.2200	0.624	2	116.4973	0.425	3	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)2	121.0040	0.000	1	121.0040	0.000	1	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)2	120.6640	0.000	1	120.6640	0.000	1	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|H<1>,1|S<3>}	O(C[6a]C[6a]2)2	121.0700	0.000	1	121.0700	0.000	1	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|H<1>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)2	121.5380	0.000	1	121.5380	0.000	1	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	117.8450	0.141	2	117.8450	0.020	2	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	117.7465	1.305	2	117.7465	1.702	2	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	117.8787	0.980	8	117.8787	0.959	8	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.3485	2.962	2	118.3485	8.774	2	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.2304	1.171	8	118.2304	1.371	8	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	118.4838	1.348	20	118.4838	1.817	20	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.0985	0.489	2	117.5773	0.934	3	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.5350	0.000	1	117.5773	0.934	3	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)2	118.6658	0.743	4	118.6658	0.552	4	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)2	118.5635	0.242	4	118.5635	0.058	4	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)2	118.0795	1.279	4	118.0795	1.636	4	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	118.7780	0.000	1	118.7780	0.000	1	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OC[6a])	C[6a](C[6a]C[6a]O)2(CHHO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CHHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	115.9390	0.000	1	115.9390	0.000	1	118.2931	2.169	135	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[4]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OGe[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(Ge[4]N[4]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OGe[4]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(Ge[4]N[4]2)	119.5770	0.905	2	119.5770	0.819	2	119.5770	0.819	2	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(NCC)	121.7760	0.000	1	121.7760	0.000	1	121.7760	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	O(C[6a]C[6a]2)(POO)	117.6170	0.953	4	117.6170	0.908	4	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PC[5]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PC[5]O)	121.2005	0.021	2	121.2005	0.000	2	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(POO)	120.1620	1.788	2	120.0754	1.487	10	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(POO)	120.1182	1.300	6	120.0754	1.487	10	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(POO)	119.8605	1.272	2	120.0754	1.487	10	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]O)	118.2690	0.737	4	118.2690	0.543	4	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(POO)	118.7405	0.595	4	118.7405	0.354	4	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PNO)	116.0280	0.000	1	116.0280	0.000	1	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	O(C[6a]C[6a]2)(PCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PCC)	117.3225	0.230	2	117.3225	0.053	2	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PClN)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PClN)	118.6170	0.544	4	118.6170	0.296	4	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PNO)	118.9345	0.144	2	118.9345	0.021	2	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PNO)	118.2495	1.534	4	118.2495	2.352	4	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(POO)	119.1485	0.364	2	119.1485	0.133	2	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PNO)	117.9640	0.488	2	117.9640	0.238	2	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(POO)	119.1368	2.133	6	119.1368	4.552	6	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(POO)	117.6550	0.041	2	117.6550	0.002	2	118.8168	2.142	49	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[4]-3:	C[6a](C[6a]C[6a]C)2(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]C)2(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(P[4]N[4]2)	118.8438	2.278	4	118.8438	5.190	4	118.8438	5.190	4	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(P[6]O[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(P[6]O[6]2)	119.7635	0.213	2	119.7635	0.045	2	119.0662	3.849	18	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-3:	C[6a](C[6a]C[6a]C)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(P[6]N[6]2)	C[6a](C[6a]C[6a]C)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2)	118.8607	2.687	4	118.8607	7.221	4	119.0662	3.849	18	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-3:	C[6a](C[6a]C[6a]C)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(P[6]N[6]2)	C[6a](C[6a]C[6a]C)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2)	119.0033	1.916	6	119.0185	3.868	12	119.0662	3.849	18	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-3:	C[6a](C[6a]C[6a]C)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(P[6]N[6]2)	C[6a](C[6a]C[6a]C)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(P[6]N[6]2)	119.0337	2.199	6	119.0185	3.868	12	119.0662	3.849	18	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(SOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SOO)	119.9348	1.373	4	119.9348	1.886	4	119.9348	1.886	4	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){2|C<3>,6|H<1>}	O(C[6a]C[6a]2)(CNO)	117.7288	0.384	4	117.7288	0.148	4	117.7288	0.148	4	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2F)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2F){1|C<4>,1|H<1>,1|N<3>,2|C<3>,3|F<1>}	O(C[6a]C[6a]2)2	115.4765	0.179	2	115.4765	0.032	2	115.4765	0.032	2	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(CCO)	119.7005	0.573	4	119.7005	0.328	4	119.8504	0.230	7	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,2|C<3>,6|H<1>}	O(C[6a]C[6a]2)(CNO)	120.0503	0.307	3	120.0503	0.094	3	119.8504	0.230	7	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CCH)	117.3540	0.000	1	117.3540	0.000	1	117.3540	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)2	127.8120	0.000	1	127.8120	0.000	1	127.8120	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(COS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(COS)	116.9435	0.529	4	116.9435	0.280	4	116.9435	0.280	4	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	115.8593	0.784	3	115.8593	0.614	3	115.8593	0.614	3	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC[6a]2Ir)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(PC[6a]2Ir){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCC)	121.7790	0.624	2	121.7790	0.389	2	120.8893	1.528	6	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC[6a]2Rh)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(PC[6a]2Rh){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCC)	120.1075	1.692	2	120.1075	2.863	2	120.8893	1.528	6	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC[6a]2Rh)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(PC[6a]2Rh){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCH)	120.7815	1.248	2	120.7815	1.558	2	120.8893	1.528	6	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Co)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Co){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	115.2875	2.432	2	115.2875	5.913	2	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Cu)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Cu){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)2	117.5490	3.454	2	117.4135	4.308	162	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Cu)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Cu){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.4118	2.070	160	117.4135	4.308	162	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Ir)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Ir){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.0220	3.691	2	117.0220	13.624	2	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Ni)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Ni){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.3996	2.158	12	117.3996	4.657	12	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.4840	1.333	8	116.6083	1.695	9	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)2	117.6030	0.000	1	116.6083	1.695	9	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Pd)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Pd){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.1895	2.869	2	117.1895	8.230	2	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Re)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Re){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.2205	2.823	2	116.2205	7.972	2	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Rh)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Rh){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.2535	2.757	2	117.2535	7.601	2	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Ru)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Ru){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.5816	2.725	11	117.5816	7.426	11	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2S)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2S){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.7125	0.538	2	117.7125	0.290	2	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Se)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Se){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	117.4040	0.000	1	117.4040	0.000	1	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]3)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.3350	0.000	1	116.3350	0.000	1	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]O)2(PC[6a]2B)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(PC[6a]2B){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	116.0865	1.505	2	116.0865	2.266	2	117.3331	4.309	210	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SO3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCH)	114.8340	0.000	1	114.8340	0.000	1	114.8340	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.1030	0.000	1	119.1030	0.000	1	118.1251	1.530	11	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.5415	0.121	2	118.0273	1.583	10	118.1251	1.530	11	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)2	116.4725	0.235	2	118.0273	1.583	10	118.1251	1.530	11	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)2	118.3742	1.272	6	118.0273	1.583	10	118.1251	1.530	11	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:Ge-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OGe)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC[6a]CC)	O(C[6a]C[6a]2)(GeNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OGe){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC[6a]CC){3|C<3>}	O(C[6a]C[6a]2)(GeNO)	116.7460	0.658	4	116.7460	0.433	4	116.7460	0.433	4	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC3)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC3){3|C<3>}	O(C[6a]C[6a]2)(POO)	116.7617	0.595	6	116.7617	0.354	6	116.9578	0.394	8	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC[6a]2C)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC[6a]2C){3|C<3>}	O(C[6a]C[6a]2)(POO)	117.5460	0.259	2	117.5460	0.067	2	116.9578	0.394	8	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CNO)	118.3250	0.000	1	118.3250	0.000	1	118.3250	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(OC[6a]){1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|Cl<1>,1|H<1>,1|N<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	122.5930	0.000	1	122.5930	0.000	1	122.5930	0.000	1	118.1054	3.560	662	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.4160	0.000	1	118.2275	2.825	2	118.2275	2.825	2	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH){1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.0390	0.000	1	118.2275	2.825	2	118.2275	2.825	2	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CH3)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.7780	0.000	1	119.7780	0.000	1	119.6706	1.723	16	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.5070	0.000	1	117.5070	0.000	1	119.6706	1.723	16	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CCHH)	121.0355	0.161	2	120.3842	1.040	6	119.6706	1.723	16	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CCHH)	120.0585	1.141	4	120.3842	1.040	6	119.6706	1.723	16	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.9940	1.872	3	118.9940	3.505	3	119.6706	1.723	16	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CH3)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.8120	0.000	1	118.8120	0.000	1	119.6706	1.723	16	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.7000	0.000	1	120.3083	0.497	3	119.6706	1.723	16	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH){1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.1440	0.000	1	120.3083	0.497	3	119.6706	1.723	16	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	121.0810	0.000	1	120.3083	0.497	3	119.6706	1.723	16	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OC){1|C<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.4210	0.000	1	118.4210	0.000	1	119.6706	1.723	16	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OC){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CBrHH)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CBrHH){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	120.2720	0.000	1	120.2720	0.000	1	119.8270	0.835	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CH3)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	119.9555	0.952	2	119.9555	0.907	2	119.8270	0.835	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	120.9440	0.000	1	120.9440	0.000	1	119.8270	0.835	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CHHO){1|Br<1>,1|C<3>,1|N<2>}	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	118.9175	0.364	2	118.9175	0.133	2	119.8270	0.835	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6,6a]C[6a])(CH3)	120.0473	1.201	6	120.0473	1.444	6	120.0473	1.444	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OC){2|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.4620	0.000	1	117.4620	0.000	1	118.5625	1.770	17	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC){1|Cr<9>,1|C<3>,4|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.6060	0.000	1	117.0380	0.093	5	118.5625	1.770	17	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC){1|Cr<9>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.0817	0.211	3	117.0380	0.093	5	118.5625	1.770	17	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC){2|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.3390	0.000	1	117.0380	0.093	5	118.5625	1.770	17	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCCH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.7787	0.108	3	118.7787	0.012	3	118.5625	1.770	17	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	119.9585	0.383	4	119.9887	0.468	6	118.5625	1.770	17	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	O(C[6a]C[6,6a]C[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]C[6a])(CCHH)	120.0490	1.375	2	119.9887	0.468	6	118.5625	1.770	17	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CH3)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	117.9370	0.000	1	117.9370	0.000	1	118.5625	1.770	17	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(CH3)	118.7060	0.000	1	118.7060	0.000	1	118.5625	1.770	17	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(OSi)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[6,6a]C[6a])(SiC3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(OSi){1|Mn<8>,1|C<3>,4|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(SiC3)	118.7700	0.000	1	118.7700	0.000	1	118.9582	0.529	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OSi)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[6,6a]C[6a])(SiC3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OSi){1|Cr<9>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(SiC3)	118.1195	0.146	2	118.1195	0.021	2	118.9582	0.529	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OSi)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[6,6a]C[6a])(SiC3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OSi){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]C[6a])(SiC3)	119.5800	0.108	3	119.5800	0.012	3	118.9582	0.529	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(C[6]O[6]2H)	O(C[6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OC){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(C[6]O[6]2H){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6,6a]C[6a])(CH3)	116.7430	0.008	2	116.7430	0.000	2	116.7430	0.000	2	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCHH)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OC){2|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCHH){1|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.7480	0.395	2	119.7480	0.156	2	119.7480	0.156	2	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(CHHO)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(CHHO){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	118.0305	0.612	4	118.0305	0.374	4	119.7719	3.401	20	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCHH){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.1300	0.000	1	120.1300	0.000	1	119.7719	3.401	20	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.2405	0.591	4	120.2405	0.350	4	119.7719	3.401	20	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CCHH)	122.3700	2.488	2	122.3700	6.188	2	119.7719	3.401	20	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[5a]2H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[5a]2H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	119.8390	0.645	2	119.8390	0.416	2	119.7719	3.401	20	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	123.0130	0.000	1	123.0130	0.000	1	119.7719	3.401	20	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	116.5400	0.000	1	116.5400	0.000	1	119.7719	3.401	20	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.4210	0.000	1	117.4210	0.000	1	119.7719	3.401	20	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CN[5]HH)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OC){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CN[5]HH){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.2080	0.807	4	120.2080	0.652	4	119.7719	3.401	20	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP[6])	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]HH)	O(C[6a]C[6a,6a]C[6a])(P[6]N[6]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]HH){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(P[6]N[6]2O)	121.5762	1.168	12	121.5762	1.364	12	121.5762	1.364	12	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(OS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(CCHH)	O(C[6a]C[6a,6a]C[6a])(SCOO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(OS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(CCHH){3|C<3>}	O(C[6a]C[6a,6a]C[6a])(SCOO)	117.7340	0.000	1	117.7340	0.000	1	117.7340	0.000	1	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCHH){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SiC3)	120.0580	0.000	1	120.0580	0.000	1	121.4930	7.867	3	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]HH)	O(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]HH){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)	122.2105	3.556	2	122.2105	12.645	2	121.4930	7.867	3	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OC)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.2430	0.000	1	114.6128	0.109	4	115.0515	2.428	13	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OC)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OC){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	114.7360	0.270	3	114.6128	0.109	4	115.0515	2.428	13	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	118.1270	0.000	1	118.1270	0.000	1	115.0515	2.428	13	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(CC[5]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(CC[5]HH){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	114.5900	0.255	2	114.5900	0.065	2	115.0515	2.428	13	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CC[6a]HO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CC[6a]HO){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	113.6465	0.500	2	113.6465	0.250	2	115.0515	2.428	13	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	114.1525	0.500	2	114.7350	1.143	3	115.0515	2.428	13	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9000	0.000	1	114.7350	1.143	3	115.0515	2.428	13	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	118.4140	0.000	1	118.4140	0.000	1	115.0515	2.428	13	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:B-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OB)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(BO[5]OO)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OB){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC[6a]2H){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(BO[5]OO)	121.5297	0.320	3	121.5297	0.102	3	121.5297	0.102	3	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9645	0.759	2	115.9645	0.576	2	116.0037	0.292	3	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0820	0.000	1	116.0820	0.000	1	116.0037	0.292	3	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]O)(OC)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.6140	0.000	1	119.6140	0.000	1	118.6288	2.089	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.0667	0.653	4	119.0667	0.427	4	118.6288	2.089	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.7445	0.887	2	118.7445	0.788	2	118.6288	2.089	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	118.1750	0.000	1	118.1750	0.000	1	118.6288	2.089	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.6730	0.000	1	118.6730	0.000	1	118.6288	2.089	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	117.2700	0.000	1	117.2700	0.000	1	118.6288	2.089	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9630	0.000	1	115.9630	0.000	1	118.6288	2.089	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CC3){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3140	0.000	1	115.3140	0.000	1	118.6288	2.089	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	115.0710	0.000	1	115.0710	0.000	1	118.6288	2.089	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCCH){1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.0932	0.953	4	119.0932	0.907	4	118.6288	2.089	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.9030	0.102	2	119.9797	0.014	4	118.6288	2.089	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.1250	0.000	1	119.9797	0.014	4	118.6288	2.089	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	119.9880	0.000	1	119.9797	0.014	4	118.6288	2.089	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	118.9877	0.203	3	118.9877	0.041	3	118.6288	2.089	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OSi)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OSi){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SiC3)	116.8565	0.214	2	116.8565	0.046	2	116.8565	0.046	2	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]O)(OC)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]O)(OC){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(CCCH){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	121.2075	0.264	2	121.2075	0.070	2	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	120.7080	0.117	2	120.7080	0.014	2	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	120.8080	0.878	4	120.8320	0.464	6	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	120.8800	0.042	2	120.8320	0.464	6	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.7180	0.494	2	117.7180	0.244	2	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|S<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4630	0.000	1	116.4630	0.000	1	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.6340	0.000	1	116.6340	0.000	1	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.6180	0.334	2	117.6180	0.111	2	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.1628	1.479	4	116.1628	2.186	4	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.0320	0.968	41	117.0320	0.937	41	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.1830	0.855	4	116.1830	0.732	4	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.7803	0.982	9	116.7803	0.964	9	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.4005	0.428	2	116.4005	0.183	2	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5a]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.7560	0.000	1	116.7560	0.000	1	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC3){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0760	0.000	1	116.0760	0.000	1	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.8940	0.000	1	117.8940	0.000	1	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1033	1.412	3	115.0697	1.334	4	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9690	0.000	1	115.0697	1.334	4	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[5a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[5a]CH){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8485	0.286	2	114.8485	0.082	2	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.5380	0.000	1	114.5380	0.000	1	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9660	0.000	1	114.9660	0.000	1	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.2437	1.546	3	120.1157	1.659	4	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|O<1>,2|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	119.7320	0.000	1	120.1157	1.659	4	117.3053	3.247	91	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PC[6a]2Mo)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(PC[6a]2Mo)	116.2640	1.411	2	116.2640	1.992	2	117.8569	3.736	10	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PC[6a]2Pt)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(PC[6a]2Pt)	116.9795	0.118	2	116.9795	0.014	2	117.8569	3.736	10	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PC[6a]2Se)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(PC[6a]2Se)	116.2770	0.014	2	116.2770	0.000	2	117.8569	3.736	10	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(PO3)	120.3795	0.639	2	120.3795	0.408	2	117.8569	3.736	10	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(POOS)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(POOS)	119.3845	1.487	2	119.3845	2.211	2	117.8569	3.736	10	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]CH)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OS){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]CH){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.2365	2.164	2	119.2365	4.685	2	119.2365	4.685	2	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2C)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2C){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.2450	0.000	1	115.2450	0.000	1	115.2450	0.000	1	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2Pt)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2Pt){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.4250	0.000	1	115.4250	0.000	1	115.3650	0.862	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2Pt)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2Pt){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.2892	1.187	4	115.2892	1.409	4	115.3650	0.862	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2Pt)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2Pt){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6080	0.000	1	115.6080	0.000	1	115.3650	0.862	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(BN[6]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(BN[6]OO)	121.8497	1.099	3	121.8497	1.209	3	121.9908	0.593	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(BO3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(BO3)	122.1320	0.463	3	122.1320	0.215	3	121.9908	0.593	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.7030	0.000	1	117.7030	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2530	0.000	1	115.2530	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCCH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5840	0.000	1	115.5840	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1710	0.000	1	116.1710	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CC[6a]HO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HO)	121.7995	0.012	2	121.7995	0.000	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.3255	0.337	2	119.1550	1.292	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.9845	1.005	2	119.1550	1.292	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[5a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[5a]CH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	113.5890	0.000	1	113.5890	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6120	0.000	1	114.6120	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	113.9275	0.030	2	113.9275	0.001	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,2|N<3>}	O(C[6a]C[6a]2)(CH3)	119.7190	0.000	2	119.7190	0.000	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	120.0962	0.286	6	120.0962	0.082	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6058	0.085	4	115.6058	0.007	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.6170	0.000	1	118.6170	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	118.0520	0.484	2	118.0520	0.234	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	117.7380	0.000	1	117.7380	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.1930	0.471	2	114.1930	0.222	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2275	0.402	2	115.0448	0.070	5	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.9200	0.000	1	115.0448	0.070	5	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9245	0.074	2	115.0448	0.070	5	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.4020	0.000	1	114.3485	0.006	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.2950	0.000	1	114.3485	0.006	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.6870	0.000	1	120.6870	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC3){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.0410	0.000	1	119.0410	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CBrHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CBrHH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	116.6205	0.931	2	116.6205	0.867	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CBrHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CBrHH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.7968	0.222	4	116.7968	0.049	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[3]CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[3]CC)	120.0210	0.000	1	120.0210	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.8380	0.000	1	117.8380	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.4005	0.832	2	118.4005	0.693	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC3){3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.2220	0.000	1	117.2220	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[5]HH)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[5]HH){3|C<3>}	O(C[6a]C[6a]2)(CHHO)	118.4260	0.000	1	118.4260	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	O(C[6a]C[6a]2)(CHHO)	117.9220	0.000	1	117.9220	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHO){3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.0443	1.038	7	118.0443	1.078	7	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]HH){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	113.9996	0.641	16	113.9996	0.410	16	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]2O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9055	0.535	2	114.9055	0.287	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9825	0.279	2	114.9825	0.078	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.3570	0.000	1	114.7160	0.321	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.3955	0.161	2	114.7160	0.321	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.9010	0.000	1	117.9010	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3577	0.645	3	115.3577	0.416	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CHHS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CHHS){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.7980	0.000	1	114.7980	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[5]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[5]HH){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.2310	1.007	2	118.2310	1.014	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.2445	0.506	2	119.2445	0.256	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.4030	0.000	1	119.4030	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.3440	0.588	4	118.3440	0.345	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CBrHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CBrHH){1|Br<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.4480	0.246	2	119.4480	0.061	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHH)	119.7338	0.166	13	119.7338	0.027	13	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CHHO)	120.9875	0.337	8	120.9875	0.114	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2570	0.000	1	115.2570	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CBrHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CBrHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.3330	0.365	2	115.6140	0.393	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CBrHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CBrHH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	116.0205	1.083	2	115.6140	0.393	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CBrHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CBrHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.4885	0.374	2	115.6140	0.393	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.3290	0.000	1	115.3290	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.3350	0.255	3	115.3350	0.065	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CHHO)	114.8530	0.000	1	114.8530	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.2150	0.000	1	115.5133	0.940	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5970	0.000	1	115.5133	0.940	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7280	0.000	1	115.5133	0.940	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[3]HO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[3]HO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.8480	0.095	2	115.8480	0.009	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]HO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]HO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7585	0.057	2	115.7585	0.003	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9270	0.000	1	115.0843	0.137	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5070	0.000	1	115.0843	0.137	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8190	0.000	1	115.0843	0.137	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5910	0.000	1	115.5910	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3320	0.000	1	115.3320	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.2020	0.472	3	115.2020	0.223	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4265	0.028	2	115.4803	0.132	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8770	0.174	2	115.4803	0.132	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1375	0.272	2	115.4803	0.132	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CN[5a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CN[5a]CH)	115.0270	0.000	1	115.0270	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.4530	0.000	1	115.4530	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	117.0455	2.064	4	117.0455	4.259	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	116.0710	0.352	3	116.1312	0.087	13	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.1492	0.294	10	116.1312	0.087	13	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4140	0.000	1	115.4140	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2890	0.000	1	115.2890	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.0370	0.000	1	114.0370	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.8470	0.000	1	114.8470	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CB[5]2C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CB[5]2C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7820	0.000	1	114.7820	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CBr2H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CBr2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.8290	0.000	1	114.8290	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CBrCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CBrCH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8430	0.000	1	115.8430	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	117.2800	0.351	2	117.2800	0.123	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	117.6900	0.400	2	117.8602	0.867	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.1090	0.000	1	117.8602	0.867	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.9520	0.000	1	117.8602	0.867	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.2497	0.549	3	117.2290	0.529	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.2083	1.009	3	117.2290	0.529	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	119.1290	0.000	1	119.1290	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.8653	0.095	3	114.9634	0.043	5	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.1105	0.289	2	114.9634	0.043	5	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	114.8045	0.054	2	114.8045	0.003	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.3523	0.681	3	115.3523	0.464	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7010	0.000	1	116.0156	0.261	7	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.3450	0.000	1	116.0156	0.261	7	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.5035	0.233	2	116.0156	0.261	7	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6853	0.502	3	116.0156	0.261	7	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.4950	0.000	1	115.4950	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	122.0550	0.000	1	121.8105	0.120	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	121.5660	0.000	1	121.8105	0.120	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCFF)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCFF){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.3650	0.000	1	117.3650	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CCCH)	121.2680	0.000	1	121.2680	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CCCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCO)	120.6640	0.000	1	120.6640	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	116.5340	0.000	1	115.3158	0.544	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.5385	0.292	2	115.3158	0.544	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.3830	0.502	5	115.3158	0.544	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	114.5121	0.359	7	114.5121	0.129	7	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	116.2520	1.690	2	116.2520	2.856	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.1280	0.634	2	115.1280	0.401	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.3572	0.792	4	115.2125	0.245	21	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4880	0.086	2	115.2125	0.245	21	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.6830	0.000	1	115.2125	0.245	21	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3215	0.424	4	115.2125	0.245	21	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6010	0.000	1	115.2125	0.245	21	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.5243	0.356	3	115.2125	0.245	21	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1474	0.178	5	115.2125	0.245	21	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1780	0.000	1	115.2125	0.245	21	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CHHO)	118.0630	0.148	2	118.0630	0.022	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	118.4290	0.000	1	118.4290	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(CCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHO)	120.3420	0.000	1	120.3420	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9967	0.827	3	115.6779	0.437	10	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.2260	0.000	1	115.6779	0.437	10	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5938	0.635	6	115.6779	0.437	10	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8550	0.338	2	115.8550	0.114	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.8060	0.761	2	115.6285	0.284	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4510	0.382	2	115.6285	0.284	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.1130	0.000	1	115.1130	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5407	0.321	3	115.5407	0.103	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3x6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3x6]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.1740	0.829	2	117.1740	0.687	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3x6]HH)	O(C[6a]C[6a]2)(CC[6,6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3x6]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6,6]HH)	119.7760	0.000	1	119.7760	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[4]HH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[4]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	117.7520	0.000	1	117.7520	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.9410	0.000	1	116.9410	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	119.4980	0.000	1	119.4980	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0860	0.000	1	115.0860	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO)	O(C[6a]C[6a]2)(CC[5]CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[5]CC)	120.7120	0.000	1	120.7120	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8970	0.000	1	114.8970	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	121.4590	0.000	1	121.4590	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]CH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.3840	0.000	1	115.3840	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.1040	0.000	1	115.6201	0.337	13	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.9770	0.000	1	115.6201	0.337	13	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.7245	0.142	2	115.6201	0.337	13	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.5120	0.066	2	115.6201	0.337	13	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0785	0.094	2	115.6201	0.337	13	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4700	0.545	5	115.6201	0.337	13	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.6070	0.000	1	118.6070	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]RuH)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]RuH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	114.7480	1.008	2	114.7480	1.017	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.6010	0.000	1	116.6010	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	115.5738	0.655	8	115.3736	0.387	14	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.1067	0.506	6	115.3736	0.387	14	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.2540	0.836	19	116.2540	0.699	19	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8160	0.000	1	115.8160	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2C){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.8035	0.688	2	115.8035	0.473	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ge)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ge){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4645	0.619	2	115.4645	0.383	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(CC[6a]HO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HO)	126.3510	0.342	2	126.3510	0.117	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.3720	0.000	1	115.1030	0.265	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0133	0.591	3	115.1030	0.265	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ir)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ir){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6673	0.887	3	116.6673	0.787	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2290	0.000	1	115.2290	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHHO)	116.5230	0.000	1	116.5230	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.8414	1.509	45	116.8747	2.277	46	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.3740	0.000	1	116.8747	2.277	46	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHO)	123.6940	1.151	2	123.6940	1.325	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.0949	1.060	17	116.0949	1.123	17	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4070	0.000	1	115.8735	0.245	75	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7345	0.196	2	115.8735	0.245	75	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9549	0.402	61	115.8735	0.245	75	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.1430	0.205	2	115.8735	0.245	75	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7430	0.000	1	115.8735	0.245	75	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5445	1.363	2	115.8735	0.245	75	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.9290	0.000	1	115.8735	0.245	75	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6655	0.662	4	115.8735	0.245	75	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6790	0.000	1	115.8735	0.245	75	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	116.0425	0.876	236	115.9795	0.813	269	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.5575	0.733	2	115.9795	0.813	269	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.2989	1.021	16	115.9795	0.813	269	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.1050	0.131	5	115.9795	0.813	269	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.8286	0.855	8	115.9795	0.813	269	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	117.2010	0.543	2	115.9795	0.813	269	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHO)	119.8990	0.393	2	119.8990	0.155	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.1717	0.896	24	115.9930	0.945	28	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.9210	0.746	4	115.9930	0.945	28	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.2378	1.257	365	116.2041	1.542	383	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7195	0.577	10	116.2041	1.542	383	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.3688	0.537	5	116.2041	1.542	383	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0330	0.064	2	116.2041	1.542	383	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2500	0.000	1	116.2041	1.542	383	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	123.5250	0.000	1	123.5250	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8187	0.152	3	114.8187	0.023	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.6500	0.000	1	115.6500	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.8840	0.000	1	116.1990	0.938	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.5140	0.000	1	116.1990	0.938	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.7550	0.000	1	115.7550	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.5070	0.000	1	115.5070	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.6930	0.000	1	116.6930	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	116.9055	0.281	2	116.8623	0.045	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.7760	0.000	1	116.8623	0.045	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCCH)	117.7640	3.045	3	115.5828	6.465	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	114.2740	0.985	5	115.5828	6.465	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.1870	0.377	10	115.0833	0.258	29	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.2060	0.000	1	115.0833	0.258	29	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.7197	0.228	3	115.0833	0.258	29	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CCHH)	114.4740	0.000	1	115.0833	0.258	29	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.9199	0.425	7	115.0833	0.258	29	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.6400	0.702	4	115.0833	0.258	29	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	114.5840	0.000	1	115.0833	0.258	29	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	115.6530	0.000	1	115.0833	0.258	29	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.4700	0.000	1	115.0833	0.258	29	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	114.8390	0.843	2	114.8390	0.710	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[5a]HH)	114.2160	0.000	1	114.2160	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.5770	0.000	1	114.8045	0.346	13	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.7454	0.602	10	114.8045	0.346	13	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.7135	0.490	2	114.8045	0.346	13	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	115.0410	0.000	1	115.0501	0.410	48	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.3260	0.000	1	115.0501	0.410	48	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.0971	0.359	10	115.0501	0.410	48	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	113.5580	0.000	1	115.0501	0.410	48	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.9560	0.000	1	115.0501	0.410	48	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6210	0.000	1	115.0501	0.410	48	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9167	0.519	3	115.0501	0.410	48	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.1097	0.676	26	115.0501	0.410	48	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.0830	1.079	4	115.0501	0.410	48	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.6122	0.310	4	115.7576	2.568	64	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.5006	1.290	60	115.7576	2.568	64	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.6265	0.678	2	114.6265	0.460	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1782	0.639	9	115.1491	0.772	29	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.8170	0.030	2	115.1491	0.772	29	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0603	1.009	18	115.1491	0.772	29	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	120.8760	0.000	1	120.8760	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	115.2407	0.121	3	115.2423	0.182	15	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.2427	0.479	12	115.2423	0.182	15	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.2530	0.539	2	116.1890	0.684	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.6570	0.409	4	116.1890	0.684	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5105	0.078	2	114.9560	0.480	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7220	0.000	1	114.9560	0.480	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.0810	0.000	1	114.9560	0.480	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8056	0.766	7	115.8056	0.587	7	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.9480	0.000	1	115.9480	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.0444	1.298	36	116.0444	1.685	36	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.8637	0.922	12	114.8637	0.850	12	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.3195	0.822	15	116.3195	0.675	15	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHHO)	117.0947	1.845	12	117.0947	3.403	12	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.6582	0.460	4	115.6582	0.212	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9115	0.326	2	115.9115	0.106	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNS){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.2730	0.000	1	116.2730	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CLiNN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CLiNN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6030	1.469	2	115.6030	2.159	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]2H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.0330	0.000	1	115.0330	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0902	0.587	4	116.4098	0.740	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]CH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	117.0490	1.201	2	116.4098	0.740	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.7877	0.445	3	114.7710	0.146	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.7610	0.395	5	114.7710	0.146	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1005	0.530	8	115.4734	0.648	21	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0783	1.145	3	115.4734	0.648	21	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0903	0.604	10	115.4734	0.648	21	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2C){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.3745	0.228	2	117.3745	0.052	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.4070	0.000	1	115.4070	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.4150	0.485	4	115.4150	0.235	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.8830	0.000	1	114.8830	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	114.8160	0.000	1	114.5710	0.095	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4830	0.453	2	114.5710	0.095	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5020	0.000	1	114.5710	0.095	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.1780	0.895	4	115.1780	0.801	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.0362	0.362	8	115.8960	0.357	10	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3350	1.229	2	115.8960	0.357	10	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	115.2280	0.693	2	115.2280	0.480	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.5760	0.000	1	115.2720	0.185	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9680	0.000	1	115.2720	0.185	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CRuCH)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CRuCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	115.9290	0.000	1	115.9290	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSeHH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSeHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.5775	0.194	2	114.5775	0.038	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSnHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSnHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.0863	0.810	3	114.0863	0.657	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.9150	0.000	1	114.9150	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHHO)	115.1110	0.000	1	115.1110	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[5]CH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[5]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.6705	0.837	2	115.6705	0.700	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.6093	0.339	3	115.6093	0.115	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(CCHH){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	113.3950	0.000	1	113.3950	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CH3){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7680	0.000	1	115.7680	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7435	0.152	2	115.7435	0.023	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCCH){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	116.2070	0.000	1	115.3342	0.373	5	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1160	0.425	4	115.3342	0.373	5	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCFF)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCFF){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6114	0.387	8	116.6114	0.150	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	114.6190	0.000	1	115.0014	0.268	14	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0970	0.025	2	115.0014	0.268	14	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9145	0.196	2	115.0014	0.268	14	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7939	0.426	8	115.0014	0.268	14	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.0270	0.000	1	115.0014	0.268	14	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1232	0.497	8	115.1232	0.247	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CCHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8065	0.721	2	114.8065	0.519	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6]CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6]CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6700	0.897	2	116.6700	0.804	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5775	0.754	2	115.5775	0.569	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6560	0.599	4	115.6560	0.359	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0067	1.005	11	115.0067	1.010	11	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.7660	0.000	1	114.7660	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5968	0.537	12	115.0711	0.425	34	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7843	0.522	22	115.0711	0.425	34	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]HN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9493	0.403	3	114.9493	0.163	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CF3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CF3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6550	1.150	2	116.6550	1.322	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	114.5270	0.000	1	114.5270	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6790	0.000	1	114.5330	0.478	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	113.5310	0.000	1	114.5330	0.478	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9610	0.202	2	114.5330	0.478	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CHHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4973	0.987	12	115.4973	0.974	12	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CHHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.9735	0.223	4	114.9735	0.050	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CN[6]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CN[6]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.0240	0.000	1	115.0240	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(CRhOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CRhOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.0320	0.000	1	117.0320	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|I<1>}	O(C[6a]C[6a]2)(CHHO)	120.4341	0.508	12	120.4341	0.259	12	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	C[6a](C[6a]C[6a]O)2(CCCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCCH){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]2)(CH3)	118.9050	0.000	1	118.9050	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	122.1500	0.000	1	122.1500	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]O)2(CCHH)	O(C[6a]C[6a]2)(CCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCHH){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CCHO)	119.6890	0.000	1	119.6890	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.1260	0.000	1	120.1260	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.4220	0.000	1	119.1942	0.161	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.5630	0.000	1	119.1942	0.161	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	119.7620	0.000	1	119.1942	0.161	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.1393	0.106	3	119.1942	0.161	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.7860	0.000	1	117.7860	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.9970	0.000	1	118.9970	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.3670	1.607	6	118.3670	2.583	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.9260	0.866	4	118.9260	0.750	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.2860	0.000	1	120.3775	0.017	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	120.4690	0.000	1	120.3775	0.017	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.0990	0.154	2	120.0990	0.024	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]HH){2|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	119.6680	0.000	1	119.6680	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CCHH)	119.7440	0.000	1	119.7440	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.4370	0.000	1	118.4370	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.4420	0.000	1	120.4420	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.3280	0.000	1	117.3280	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CC){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.4880	0.211	3	119.4880	0.045	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.7400	0.000	1	117.7400	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.7060	0.000	1	118.7060	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.0770	0.628	2	119.0770	0.394	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.6630	0.110	2	118.6630	0.012	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	119.6335	0.023	2	119.6335	0.001	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.9035	0.576	2	118.9035	0.332	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.9420	0.571	2	118.9420	0.326	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CCHH){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.3850	0.000	1	120.3850	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.3057	0.855	17	118.3057	0.730	17	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCHH)	121.6420	0.000	1	121.6420	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.0120	0.000	1	119.0120	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(CHHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	118.6281	0.748	8	118.6281	0.560	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]O)2(CHHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CHHO){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	119.0735	0.448	2	119.0735	0.200	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	120.1890	0.000	1	120.1890	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|Cl<1>,1|C<3>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	119.3210	0.000	1	119.3210	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(CCHH)	119.6377	0.570	4	119.6377	0.324	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|N<2>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.5070	0.000	1	119.5070	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<4>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	120.6380	0.000	1	120.6380	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHHN){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	116.3660	0.000	1	116.3660	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]2O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]2O){1|C<4>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	119.9440	0.783	2	119.9440	0.614	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HO){1|C<4>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(CH3)	118.0710	0.000	1	118.0710	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCOO)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]C)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCOO){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC3)	121.8405	0.518	2	121.8405	0.269	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.9610	0.000	1	118.9610	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.4430	0.955	2	118.4430	0.911	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.7023	0.451	3	118.7023	0.204	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]C)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC3)	118.5690	0.000	1	118.5690	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.3420	0.000	1	119.3420	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6a]C[6a]2)(CH3)	118.3470	0.000	1	118.3470	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.7160	0.000	1	118.7160	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CBrHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CBrHH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	119.2455	0.166	2	119.2455	0.028	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	118.7560	0.962	7	118.9110	0.985	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.9960	0.000	1	118.9110	0.985	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	121.1450	0.000	1	121.1450	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|P<3>}	O(C[6a]C[6a]2)(CH3)	118.7207	1.055	6	118.6835	2.113	66	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	118.5229	1.591	40	118.6835	2.113	66	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	118.5655	1.452	6	118.6835	2.113	66	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.2197	1.267	12	118.6835	2.113	66	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.9210	0.274	2	118.6835	2.113	66	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.2100	0.602	5	118.2100	0.362	5	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	118.6316	0.898	11	118.6316	0.806	11	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.6075	1.265	2	118.6075	1.600	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.0400	0.707	2	119.0400	0.500	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	118.5720	0.304	2	118.5720	0.092	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	118.8550	0.000	1	118.8550	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	119.4376	0.573	16	119.4376	0.329	16	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	119.1479	0.695	7	119.1479	0.483	7	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.9117	0.444	6	118.9117	0.197	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.1070	0.000	1	119.1070	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]BrH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]BrH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.5170	0.037	2	119.5170	0.001	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.8675	1.215	4	119.5910	0.923	31	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.5500	0.939	27	119.5910	0.923	31	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CHHO)	120.8460	0.192	8	120.2454	0.404	28	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CHHO)	120.0052	0.590	20	120.2454	0.404	28	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCCH)	119.4205	1.918	2	119.4147	0.719	19	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(CCCH)	119.4605	0.726	15	119.4147	0.719	19	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCCH)	119.0655	1.272	2	119.4147	0.719	19	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	118.7327	0.669	8	119.0095	1.236	588	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHH)	119.0292	0.715	6	119.0095	1.236	588	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHH)	118.9104	1.460	12	119.0095	1.236	588	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.9362	1.147	290	119.0095	1.236	588	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|I<1>}	O(C[6a]C[6a]2)(CCHH)	119.0047	0.963	15	119.0095	1.236	588	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	119.1020	0.919	28	119.0095	1.236	588	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|P<4>}	O(C[6a]C[6a]2)(CCHH)	119.0987	1.332	8	119.0095	1.236	588	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	119.1411	1.186	159	119.0095	1.236	588	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.0162	0.814	62	119.0095	1.236	588	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[5]HH)	118.9644	1.534	11	118.9644	2.354	11	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[5a]HH)	119.0365	0.541	4	119.0365	0.293	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.9149	1.212	8	118.9668	1.441	80	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.8722	1.198	55	118.9668	1.441	80	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.4688	1.173	4	118.9668	1.441	80	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.4717	1.013	9	118.9668	1.441	80	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.7338	1.804	4	118.9668	1.441	80	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	118.8606	0.731	21	119.1401	0.665	176	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	119.0254	0.620	11	119.1401	0.665	176	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.0501	0.859	37	119.1401	0.665	176	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	119.3754	0.477	15	119.1401	0.665	176	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.2155	0.869	92	119.1401	0.665	176	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CHHO)	118.9002	3.870	4	118.9002	14.976	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CHHP)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CHHP)	119.2170	0.540	8	119.2702	1.465	30	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CHHP)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CHHP)	119.2895	1.387	22	119.2702	1.465	30	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.3152	0.568	4	119.3152	0.323	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]C)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC3)	117.7773	2.322	3	117.7773	5.392	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.0382	1.511	19	118.9430	1.428	41	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.8607	0.865	22	118.9430	1.428	41	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	118.0935	0.576	2	118.0935	0.332	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.8328	1.432	4	118.8328	2.050	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|P<3>}	O(C[6a]C[6a]2)(CH3)	118.9034	0.843	16	118.8974	0.537	35	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|P<4>}	O(C[6a]C[6a]2)(CH3)	118.7084	0.613	9	118.8974	0.537	35	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.6525	0.552	2	118.8974	0.537	35	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	119.0278	0.540	6	118.8974	0.537	35	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	119.2640	0.000	1	118.8974	0.537	35	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.8410	0.000	1	118.8974	0.537	35	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHH)	118.9195	0.971	6	118.9195	0.943	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	117.9100	0.000	1	117.9100	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.4050	0.000	1	119.4050	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	119.7910	1.972	14	119.5877	2.514	24	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.2889	0.870	8	119.5877	2.514	24	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CCHH)	119.3595	0.749	2	119.5877	2.514	24	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	119.5055	0.999	4	119.3045	1.778	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.9025	2.327	2	119.3045	1.778	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	118.7385	2.625	2	119.3462	1.214	41	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.0720	1.416	4	119.3462	1.214	41	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(CH3)	119.4551	0.495	7	119.3462	1.214	41	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.5383	0.956	23	119.3462	1.214	41	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.7724	1.618	5	119.3462	1.214	41	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.3243	0.339	3	119.3243	0.115	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	119.4147	1.298	4	119.4147	1.685	4	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	118.9323	0.705	9	118.9323	0.498	9	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	120.2045	0.530	2	120.2045	0.281	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSeHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSeHH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.6644	1.778	8	119.6644	3.162	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	120.2500	0.000	1	118.8861	0.926	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	118.6913	0.852	7	118.8861	0.926	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	118.1710	0.000	1	119.4756	0.930	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CH3)	119.6620	0.872	7	119.4756	0.930	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CBrHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CBrHH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	118.9254	0.828	18	118.9254	0.686	18	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	118.3755	0.384	2	118.4843	0.109	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.7020	0.000	1	118.4843	0.109	3	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CC[5]HH)	O(C[6a]C[6a]2)(CC[5]CC)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[5]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5]CC)	116.5480	0.000	1	116.5480	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.9051	0.393	12	117.6279	0.369	16	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.7965	0.221	4	117.6279	0.369	16	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CC[6a]HO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	118.7052	2.206	6	118.7052	4.865	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	119.2409	0.711	8	119.2409	0.506	8	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.1320	0.000	1	118.7694	0.645	30	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	119.0238	0.732	21	118.7694	0.645	30	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.7750	0.000	1	118.7694	0.645	30	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){3|C<3>}	O(C[6a]C[6a]2)(CH3)	118.0470	0.276	2	118.7694	0.645	30	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	118.1166	0.861	5	118.7694	0.645	30	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CHHO)	117.2594	0.813	18	117.2594	0.661	18	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CHHO)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CHHO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CHHO)	117.3155	0.224	2	117.3155	0.050	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CN[5]HH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CN[5]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	118.9722	0.661	6	118.9722	0.437	6	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](C[6a]C[6a]O)2(CN[6]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CN[6]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCHH)	119.2174	0.958	16	119.2174	0.918	16	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	117.7480	2.056	2	117.7480	4.228	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	120.1860	0.000	1	120.1860	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)2(CH3){1|Cl<1>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.4280	0.000	1	118.4280	0.000	1	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OC){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(CCHH)	120.0175	1.347	2	120.0175	1.815	2	117.4579	4.025	3263	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(C[4]C[4]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[4]C[4]2H)	114.7990	0.000	1	114.7990	0.000	1	114.7990	0.000	1	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	119.6340	0.000	1	119.6340	0.000	1	119.6340	0.000	1	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(C[6]C[6]2C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2C)	119.8460	0.000	1	119.8460	0.000	1	121.9043	5.411	3	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	124.4280	0.000	1	124.4280	0.000	1	121.9043	5.411	3	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	121.4390	0.000	1	121.4390	0.000	1	121.9043	5.411	3	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGa)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(GaC[5]CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGa){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(GaC[5]CC)	121.3525	1.430	2	121.3525	2.046	2	120.4702	1.165	8	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga-4:	C[6a](C[6a]C[6a]C)2(OGa)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(GaCl2N)	C[6a](C[6a]C[6a]C)2(OGa){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(GaCl2N)	120.8925	0.177	2	120.8925	0.032	2	120.4702	1.165	8	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga-4:	C[6a](C[6a]C[6a]C)2(OGa)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(GaClNO)	C[6a](C[6a]C[6a]C)2(OGa){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(GaClNO)	121.1010	0.000	1	121.1010	0.000	1	120.4702	1.165	8	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga-4:	C[6a](C[6a]C[6a]C)2(OGa)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(GaCl2N)	C[6a](C[6a]C[6a]C)2(OGa){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(GaCl2N)	119.5610	0.310	2	119.5610	0.096	2	120.4702	1.165	8	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga-4:	C[6a](C[6a]C[6a]C)2(OGa)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(GaClNO)	C[6a](C[6a]C[6a]C)2(OGa){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(GaClNO)	119.0490	0.000	1	119.0490	0.000	1	120.4702	1.165	8	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:In-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OIn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(InO[5]CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OIn){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(InO[5]CO)	121.7245	0.740	4	121.7245	0.547	4	121.7245	0.547	4	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-4:	C[6a](C[6a]C[6a]C)2(ONb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(NbN3)	C[6a](C[6a]C[6a]C)2(ONb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(NbN3)	119.3285	0.258	2	119.3285	0.067	2	119.3285	0.067	2	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OP){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PRhOO)	119.0230	0.728	2	119.0230	0.530	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PC[6a]PtO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]PtO)	119.0730	1.083	4	119.0730	1.174	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PIrOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PIrOO)	119.8007	0.718	4	119.8007	0.516	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PRhNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PRhNO)	120.8945	0.800	2	120.8945	0.640	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PRhOO)	120.1568	0.586	12	119.6555	1.203	28	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PRhOO)	118.9772	1.269	12	119.6555	1.203	28	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(PRhOO)	120.1865	0.665	4	119.6555	1.203	28	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PRuOO)	117.5660	4.482	6	117.9679	15.200	8	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(PRuOO)	119.1735	1.443	2	117.9679	15.200	8	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PC[6a]PdO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]PdO)	117.4039	0.816	8	117.4039	0.666	8	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PC[6a]RhO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(PC[6a]RhO)	117.1342	0.603	4	117.1342	0.364	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PC[6a]PdO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]PdO)	116.9473	0.424	3	116.9473	0.179	3	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PC[6a]PtO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]PtO)	117.0047	1.315	3	117.0047	1.729	3	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PClOS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PClOS)	117.1600	1.560	2	117.3885	1.004	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PClOS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(PClOS)	117.6170	0.608	2	117.3885	1.004	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PIOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PIOO)	117.1243	0.501	3	117.1243	0.251	3	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PPdNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PPdNO)	117.6275	0.572	2	117.6275	0.327	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PPdOO)	117.1153	1.685	3	117.1552	1.314	6	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PPdOO)	117.1950	0.664	3	117.1552	1.314	6	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PRuOO)	118.1697	1.592	3	118.1697	2.536	3	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	O(C[6a]C[6a]2)(PCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PCHO)	116.8370	0.000	1	116.8370	0.000	1	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(PC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]OO)	118.7980	1.847	8	118.7980	3.412	8	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]Cl2)	O(C[6a]C[6a]2)(PCl2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]Cl2){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PCl2O)	116.7345	0.725	2	116.7345	0.525	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]Cl2)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]Cl2){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PO3)	116.9610	0.000	1	116.9610	0.000	1	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PMoFO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PMoFO)	119.7050	1.419	4	119.7050	2.013	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCl2O)	O(C[6a]C[6a]2)(PCl2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCl2O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PCl2O)	117.1880	0.455	3	117.1880	0.207	3	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PCoOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PCoOO)	116.5123	0.823	3	116.5123	0.677	3	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PPdOO)	116.5532	1.289	6	116.5532	1.662	6	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(PClNN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PClNN)	117.1350	0.000	1	117.1350	0.000	1	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(C[6a]C[6a]2)(PClNN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PClNN)	119.4140	0.401	4	119.4140	0.161	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	O(C[6a]C[6a]2)(PClNN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PClNN)	119.6775	0.357	2	119.6775	0.128	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(PPdOO)	118.5500	0.000	1	118.5500	0.000	1	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|P<4>}	O(C[6a]C[6a]2)(PPdOO)	117.0060	0.000	1	117.0060	0.000	1	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[6a]2)(PO3)	119.9990	0.244	4	119.9990	0.059	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PCOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PCOO)	118.8785	0.332	2	118.8785	0.110	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PC[5]OO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PC[5]OO)	120.5178	0.293	4	120.5178	0.086	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PC[6a]2B)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PC[6a]2B)	118.5970	1.041	2	118.5970	1.083	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PC[6a]2Co)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PC[6a]2Co)	117.3655	0.639	2	117.3655	0.408	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PC[6a]2Ni)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PC[6a]2Ni)	119.1165	0.738	2	119.1165	0.544	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PC[6a]BH)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PC[6a]BH)	118.5255	0.756	2	118.5255	0.571	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PClNN)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PClNN)	118.0755	0.506	2	118.0755	0.256	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PNOS)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PNOS)	119.5240	0.387	2	119.5240	0.150	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PO3)	119.3275	1.376	19	119.3275	1.893	19	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PPdOO)	118.4238	0.520	6	118.4238	0.270	6	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PRhOO)	117.3708	1.054	4	117.3708	1.111	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PSeNO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PSeNO)	119.4190	0.392	2	119.4190	0.153	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PNOO)	118.0600	1.083	4	118.0600	1.174	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PO3)	118.4002	0.804	18	118.3388	0.513	119	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,2|C<3>}	O(C[6a]C[6a]2)(PO3)	120.7250	0.000	1	118.3388	0.513	119	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PO3)	118.2655	0.550	38	118.3388	0.513	119	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|I<1>}	O(C[6a]C[6a]2)(PO3)	118.2114	0.696	8	118.3388	0.513	119	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(PO3)	118.2148	0.499	6	118.3388	0.513	119	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|N<4>}	O(C[6a]C[6a]2)(PO3)	118.3494	0.760	18	118.3388	0.513	119	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(PO3)	118.1532	0.349	6	118.3388	0.513	119	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PO3)	118.4215	0.854	24	118.3388	0.513	119	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(PPdNO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PPdNO)	118.2037	2.357	4	118.2037	5.558	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PPdOO)	118.4032	0.926	4	118.4032	0.857	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PO3)	118.6037	0.421	3	118.6037	0.177	3	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PO3)	118.8114	0.667	25	118.8114	0.445	25	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PPdOO)	118.5133	0.457	6	118.5133	0.209	6	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PRhOO)	120.0940	0.922	4	120.0940	0.849	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(PC[6a]OO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PC[6a]OO)	118.7445	0.680	44	118.7445	0.462	44	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CoH)	O(C[6a]C[6a]2)(PC[6a]2Co)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CoH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PC[6a]2Co)	119.8455	0.275	2	119.8455	0.076	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PCOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PCOO)	118.6423	0.527	32	118.5483	0.410	34	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PCOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PCOO)	117.0430	0.342	2	118.5483	0.410	34	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PC[5]OO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PC[5]OO)	116.4248	0.436	4	116.4248	0.190	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PC[6a]2Ni)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PC[6a]2Ni)	119.8570	0.315	2	119.8570	0.099	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PIrOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PIrOO)	118.4265	2.956	6	118.4265	8.738	6	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PNOS)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PNOS)	117.4100	0.310	2	117.4100	0.096	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PO3)	118.2570	1.545	4	117.6517	1.161	23	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PO3)	117.5243	0.961	19	117.6517	1.161	23	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PPtOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PPtOO)	118.4980	1.922	6	118.4980	3.695	6	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PRhOO)	119.2763	1.541	4	119.2763	2.374	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(PSeNO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PSeNO)	117.3965	0.166	2	117.3965	0.028	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PCCH)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PCCH)	117.6925	3.311	2	117.6925	10.965	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PCOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PCOO)	118.4498	0.599	21	118.4498	0.358	21	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PC[6a]OS)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PC[6a]OS)	118.4650	0.195	2	118.4650	0.038	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PHOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PHOO)	117.7715	0.559	2	117.7715	0.313	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PMoNO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PMoNO)	118.2269	0.705	8	118.2269	0.497	8	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PNOO)	117.0917	1.167	4	118.0173	1.762	14	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PNOO)	118.3875	1.248	10	118.0173	1.762	14	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PO3)	118.0749	1.267	14	118.0749	1.605	14	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PRhOO)	117.6370	1.279	4	117.6370	1.636	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(PC[6a]OS)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PC[6a]OS)	118.3055	0.032	2	118.3055	0.001	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(PCOO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PCOO)	117.4399	0.594	32	117.4399	0.353	32	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(OP)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(PC[6a]OO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(PC[6a]OO)	117.0032	0.523	44	117.0032	0.274	44	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(PRuOO)	119.4530	0.000	1	119.4530	0.000	1	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Ir<5>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PIrCC)	119.4193	0.301	4	119.4193	0.091	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PIrOO)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Ir<6>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PIrOO)	119.6860	0.472	2	119.6860	0.223	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|Ir<4>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PIrCC)	119.2245	0.357	2	118.6445	0.954	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	O(C[6a]C[6a]2)(PIrCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|Ir<5>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PIrCC)	118.0645	1.179	2	118.6445	0.954	4	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]C)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Ni<4>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PNiCC)	119.5923	0.403	6	119.5923	0.162	6	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(PNiCC)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]C)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Ni<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PNiCC)	116.8490	0.000	1	116.8490	0.000	1	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PC[6a]PdO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]PdO)	117.2430	0.000	1	117.2430	0.000	1	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PPdCC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Pd<4>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PPdCC)	119.0695	0.288	4	118.9934	0.091	5	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PPdCC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Pd<4>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PPdCC)	118.6890	0.000	1	118.9934	0.091	5	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Pd<4>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PPdOO)	119.0990	0.000	1	119.0990	0.000	1	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(PC[6a]2Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){2|Pd<4>,1|C<3>}	O(C[6a]C[6a]2)(PC[6a]2Pd)	117.6640	0.833	2	117.6640	0.694	2	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PC[6a]PtO)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Pt<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]PtO)	116.7200	0.000	1	116.7200	0.000	1	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PPtOO)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Pt<4>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(PPtOO)	118.6980	0.000	1	118.6980	0.000	1	118.3099	1.594	646	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[4]-4:	C[6a](C[6a]C[6a]C)2(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(P[4]N[4]2O)	C[6a](C[6a]C[6a]C)2(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(P[4]N[4]2O)	118.0194	1.358	8	118.0194	1.844	8	118.0194	1.844	8	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(P[6]N[6]2O)	119.4750	0.361	2	119.4750	0.130	2	118.6102	9.389	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]C)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(P[6]N[6]2S)	C[6a](C[6a]C[6a]C)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(P[6]N[6]2S)	118.1778	3.855	4	118.1778	14.857	4	118.6102	9.389	6	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OS){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.2980	0.000	1	118.2980	0.000	1	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.3860	0.000	1	118.3860	0.000	1	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SCOO)	117.6720	0.000	1	117.6720	0.000	1	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	115.4195	0.115	2	115.4195	0.013	2	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(SCOO)	116.2970	1.778	2	116.2970	3.160	2	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.4610	0.000	1	117.6515	1.311	2	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SC[6a]OO)	116.8420	0.000	1	117.6515	1.311	2	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]O)2(CC[6a]CH)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SCOO)	114.9330	0.000	1	114.9330	0.000	1	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SCOO)	119.7365	0.424	2	119.7365	0.179	2	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SC[6a]OO)	119.8570	0.000	1	119.8570	0.000	1	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SCOO)	116.5950	1.109	2	116.5950	1.229	2	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SC[6a]OO)	116.1050	0.000	1	116.1050	0.000	1	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SCOO)	118.6895	0.459	2	118.6895	0.211	2	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	118.2470	1.030	4	118.2470	1.060	4	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)2(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(SCNO)	C[6a](C[6a]C[6a]C)2(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SCNO)	117.3810	0.834	2	117.3810	0.696	2	117.5741	2.336	24	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SiC3)	118.4925	1.447	8	118.4925	2.094	8	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(SiC[6a]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(SiC[6a]2O)	120.1895	0.305	4	120.1895	0.093	4	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(SiC[6a]ClO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(SiC[6a]ClO)	120.9150	0.219	2	120.9150	0.048	2	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(SiClCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]2)(SiClCO)	120.3645	0.788	2	120.3645	0.622	2	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Bi<4>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(SiC3)	119.4900	0.004	2	119.4690	0.054	6	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(SiC3)	119.4280	0.270	2	119.4690	0.054	6	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(SiC3)	119.4890	0.436	2	119.4690	0.054	6	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(SiC[5]CC)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiC[5]CC)	118.9360	0.000	1	118.9360	0.000	1	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(SiOOS)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SiOOS)	118.9757	1.111	120	118.9757	1.234	120	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(SiCCH)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiCCH)	119.6455	0.937	8	119.6455	0.878	8	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiCCO)	119.6316	0.319	63	119.6152	0.227	65	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiCCO)	119.0995	2.771	2	119.6152	0.227	65	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(SiC[5]CC)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiC[5]CC)	120.0830	0.000	1	120.0830	0.000	1	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]2)(SiO3)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiO3)	119.3047	1.930	15	119.3047	3.723	15	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SiC3)	120.2850	0.000	1	120.2850	0.000	1	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(SiC[6a]CH)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(SiC[6a]CH)	119.0435	0.177	2	119.0435	0.032	2	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(SiO3)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiO3)	118.5640	0.000	1	118.5640	0.000	1	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(SiSiOO)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiSiOO)	116.9940	0.000	1	116.9940	0.000	1	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(SiO3)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiO3)	119.9070	0.000	1	119.9070	0.000	1	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(SiSiOO)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiSiOO)	122.0120	0.000	1	122.0120	0.000	1	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(OSi)	C[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(SiCCO)	118.0261	0.328	60	118.0261	0.107	60	119.0077	1.225	299	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){2|C<3>,5|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7370	0.000	1	115.7370	0.000	1	117.6280	5.859	4	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Cl<1>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CHHO)	115.3480	0.000	1	115.3480	0.000	1	117.6280	5.859	4	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CHHO)	119.9430	0.000	1	119.7135	0.105	2	117.6280	5.859	4	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CHHO)	119.4840	0.000	1	119.7135	0.105	2	117.6280	5.859	4	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.5740	0.018	2	115.5740	0.000	2	115.3900	0.644	8	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.0150	0.000	1	115.0150	0.000	1	115.3900	0.644	8	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.4465	0.080	2	115.3914	1.075	5	115.3900	0.644	8	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	114.0670	0.000	1	115.3914	1.075	5	115.3900	0.644	8	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9985	0.059	2	115.3914	1.075	5	115.3900	0.644	8	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	120.4400	0.000	1	120.4400	0.000	1	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(C[5]C[5]2H)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OC){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(C[5]C[5]2H){1|Br<1>,1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	117.0770	0.000	1	117.0770	0.000	1	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	118.6290	1.284	2	118.6290	1.649	2	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C){1|C<3>,1|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.3700	0.000	1	118.3700	0.000	1	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3730	0.000	1	116.3730	0.000	1	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.1890	3.746	2	116.3498	6.422	4	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){4|C<3>,5|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.6090	0.000	1	116.3498	6.422	4	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.4120	0.000	1	116.3498	6.422	4	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9010	0.000	1	115.2292	0.858	9	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7763	0.582	3	115.2292	0.858	9	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2900	0.000	1	115.2292	0.858	9	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3858	1.293	4	115.2292	0.858	9	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CHHO)	114.7100	0.000	1	114.7100	0.000	1	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	121.3560	0.000	1	121.3560	0.000	1	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4345	0.067	2	114.9982	0.261	8	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6145	0.852	2	114.9982	0.261	8	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0840	0.511	2	114.9982	0.261	8	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8600	0.332	2	114.9982	0.261	8	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[5]O[5]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|O<2>}	C[6a](C[6a]C[6a]O)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3560	0.417	4	115.3560	0.174	4	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CHHO)	120.9470	0.000	1	120.9470	0.000	1	116.1883	4.234	34	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2H){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.6340	0.000	1	119.6340	0.000	1	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(C[6]O[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(C[6]O[6]2H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	116.4610	0.000	1	116.4610	0.000	1	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]O[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]O[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6a]C[6a]2)(CH3)	115.6050	0.000	1	115.6050	0.000	1	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9030	0.000	1	115.6340	0.145	2	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3650	0.000	1	115.6340	0.145	2	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CFFH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CFFH)	117.5325	0.138	2	117.5325	0.019	2	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0640	0.000	1	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6940	0.000	1	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	116.7570	0.000	1	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[6a]C[6a]2)(CH3)	117.5935	4.291	2	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6540	0.000	1	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7200	0.000	1	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6330	0.000	1	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1760	0.000	1	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8300	0.000	1	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8100	0.000	1	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2020	0.000	1	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){4|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6020	0.000	1	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,2|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3580	0.000	1	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6430	0.000	1	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1615	1.080	2	116.2149	1.781	17	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O){1|H<1>,3|C<3>,3|O<2>}	O(C[6a]C[6a]2)(CH3)	117.1450	0.000	1	117.1450	0.000	1	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]3){1|C<4>,4|C<3>,6|H<1>}	O(C[6a]C[6a]2)(CH3)	116.8880	0.000	1	116.8880	0.000	1	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.1792	0.382	4	115.3348	0.230	5	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.9570	0.000	1	115.3348	0.230	5	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.2310	0.000	1	114.2310	0.000	1	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]O[6]2H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.3170	0.000	1	115.3170	0.000	1	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1320	1.689	2	115.1320	2.851	2	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H){1|Cl<1>,1|C<3>,1|W<7>,2|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2900	0.658	2	115.3168	0.213	6	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H){1|Se<2>,1|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4275	0.310	2	115.3168	0.213	6	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2330	0.706	2	115.3168	0.213	6	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[6]O[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]O)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	117.3495	2.211	2	117.3495	4.889	2	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5150	0.000	1	116.5150	0.000	1	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	O(C[6a]C[6a]2)(CH3)	119.8100	0.000	1	119.8100	0.000	1	116.1584	1.982	45	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2Cl)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.9035	0.731	6	114.9035	0.535	6	115.1364	1.830	19	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2H)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.9610	0.384	3	114.9610	0.147	3	115.1364	1.830	19	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9135	0.355	4	114.9135	0.126	4	115.1364	1.830	19	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(GeC[6a]2Br)	O(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(GeC[6a]2Br){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC3)	115.6057	2.352	6	115.6057	5.531	6	115.1364	1.830	19	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	116.4560	0.000	1	116.4560	0.000	1	115.6980	1.719	27	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCCH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	117.5210	0.000	1	117.5210	0.000	1	115.6980	1.719	27	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCdCC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCdCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	114.6940	0.000	1	114.6940	0.000	1	115.6980	1.719	27	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCuCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCuCC){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.8300	0.000	1	116.8300	0.000	1	115.6980	1.719	27	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.0050	0.000	1	115.0050	0.000	1	115.6980	1.719	27	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2510	0.000	1	115.2430	0.461	20	115.6980	1.719	27	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CH3)	115.0415	0.804	2	115.2430	0.461	20	115.6980	1.719	27	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	115.0540	0.000	1	115.2430	0.461	20	115.6980	1.719	27	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3796	0.763	8	115.2430	0.461	20	115.6980	1.719	27	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2000	0.000	1	115.2430	0.461	20	115.6980	1.719	27	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1766	0.790	7	115.2430	0.461	20	115.6980	1.719	27	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCHH)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.2395	0.182	2	119.2395	0.033	2	115.6980	1.719	27	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	O(C[6a]C[6a]2)(CH3)	117.2940	0.000	1	117.2940	0.000	1	117.2940	0.000	1	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(PC[5]OO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(PC[5]OO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2630	0.000	1	115.2630	0.000	1	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(PCCO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(OC){1|C<3>,1|F<1>,1|P<4>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(PCCO){1|C<3>,1|F<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	122.6630	0.000	1	122.6630	0.000	1	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PAuCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PAuCC){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9610	0.000	1	115.9610	0.000	1	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(PC[6]2Pd)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(PC[6]2Pd){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9040	0.000	1	116.6555	1.130	2	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(PC[6]2Pd)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(PC[6]2Pd){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	117.4070	0.000	1	116.6555	1.130	2	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(PPdCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(PPdCC){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9205	0.006	2	115.9466	0.019	5	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(PPdCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(PPdCC){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9640	0.192	3	115.9466	0.019	5	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Cr)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Cr){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0260	0.612	3	116.0260	0.375	3	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Cu)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Cu){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8575	0.228	2	114.8575	0.052	2	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6770	0.544	4	114.6680	0.333	6	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6500	0.881	2	114.6680	0.333	6	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2I)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2I){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3770	0.434	7	115.3770	0.188	7	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2In)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2In){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9419	0.531	9	114.9419	0.281	9	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Ni)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Ni){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2817	0.568	3	115.2817	0.323	3	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.9105	0.093	2	115.9105	0.009	2	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CH3)	115.0410	0.000	1	115.2153	0.286	6	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2502	0.590	5	115.2153	0.286	6	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Pd)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Pd){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6188	0.659	47	115.6188	0.434	47	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Ru)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Ru){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1351	0.676	7	116.1351	0.457	7	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Se)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Se){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7930	0.363	2	115.5294	1.177	10	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Se)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Se){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4635	1.212	8	115.5294	1.177	10	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]BC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]BC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.8310	0.000	1	116.8310	0.000	1	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.3760	0.000	1	114.3760	0.000	1	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]CO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]CO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5735	0.326	6	115.5735	0.106	6	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]CrC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]CrC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3107	0.359	8	115.3107	0.129	8	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]CrN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]CrN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6105	0.716	16	115.6105	0.512	16	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]HO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]HO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9480	0.000	1	114.9480	0.000	1	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]NO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]NO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3990	0.000	1	116.3990	0.000	1	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]NiC)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]NiC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCCH)	114.4615	0.088	2	114.4615	0.008	2	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]NiC)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]NiC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8300	0.498	6	115.8300	0.248	6	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]NiC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]NiC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8305	0.540	34	115.8305	0.292	34	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]NiN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]NiN){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1360	0.303	8	116.1360	0.092	8	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]OO)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]OO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.7080	0.000	1	114.7080	0.000	1	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]OO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]OO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7247	0.497	3	115.7247	0.247	3	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]OS)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]OS){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7780	0.000	1	115.7780	0.000	1	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]PdC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]PdC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6443	0.960	15	115.6443	0.923	15	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]PdN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]PdN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0205	0.359	2	115.0205	0.129	2	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]RuC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]RuC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3427	0.833	11	116.3427	0.693	11	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PPdCC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PPdCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.4775	0.336	2	116.4775	0.113	2	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC[6]2Pd)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(PC[6]2Pd){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1665	0.404	4	116.1665	0.164	4	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC[6a]2C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(PC[6a]2C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4566	1.260	8	115.4566	1.588	8	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC[6a]2H)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(PC[6a]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2827	1.375	4	115.2827	1.890	4	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC[6a]2In)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(PC[6a]2In){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4570	1.310	12	115.4570	1.716	12	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC[6a]2Ir)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(PC[6a]2Ir){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6086	2.247	7	115.6086	5.051	7	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC[6a]2O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(PC[6a]2O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2035	0.490	6	116.2035	0.240	6	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC[6a]2Rh)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(PC[6a]2Rh){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7717	1.972	8	115.0723	3.444	10	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC[6a]2Rh)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<3>}	C[6a](C[6a]C[6a]O)2(PC[6a]2Rh){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2745	0.394	2	115.0723	3.444	10	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC[6a]2Ru)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(PC[6a]2Ru){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0422	0.506	4	115.3572	0.688	5	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC[6a]2Ru)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<3>}	C[6a](C[6a]C[6a]O)2(PC[6a]2Ru){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6170	0.000	1	115.3572	0.688	5	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]O)2(PC[6a]BN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(PC[6a]BN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3850	1.426	2	115.3850	2.032	2	115.6415	0.981	289	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6])	C[6a](C[6a]C[6a]O)2(PC[6a]2B)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(PC[6a]2B){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	115.4220	2.097	2	115.4220	4.399	2	115.4220	4.399	2	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(PC[6a]2Pd)	O(C[6a]C[6a]2)(PPdNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(PC[6a]2Pd){3|C<3>}	O(C[6a]C[6a]2)(PPdNO)	116.6225	1.334	2	116.6225	1.780	2	119.8533	4.770	9	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Pd)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Pd){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PPdOO)	119.8675	0.122	2	119.8675	0.015	2	119.8533	4.770	9	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Ir)	O(C[6a]C[6a]2)(PIrOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Ir){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PIrOO)	120.5300	0.000	1	120.5300	0.000	1	119.8533	4.770	9	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Rh)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Rh){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PRhOO)	120.0085	0.378	2	120.0085	0.143	2	119.8533	4.770	9	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PRuCC)	O(C[6a]C[6a]2)(PRuOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PRuCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PRuOO)	122.5765	0.103	2	122.5765	0.011	2	119.8533	4.770	9	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P[4]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2S)	O(C[6a]C[6a]2)(P[4]N[4]2S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2S){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(P[4]N[4]2S)	116.1570	0.404	2	116.1570	0.164	2	116.1570	0.164	2	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SNOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SNOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9410	0.216	2	114.9410	0.047	2	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SO3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.0263	0.460	3	115.0263	0.212	3	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(SO3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4680	0.000	1	115.4680	0.000	1	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SNOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SNOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.1560	0.055	2	116.1560	0.003	2	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SNOO)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SNOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CF3)	115.5990	0.000	1	115.5990	0.000	1	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCOO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.1110	0.679	3	116.8624	0.219	7	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SCOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6760	0.150	4	116.8624	0.219	7	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2530	0.000	1	116.2530	0.000	1	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.0900	0.942	2	116.0900	0.887	2	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CF3)	116.4230	0.758	2	117.1500	1.873	3	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO)	O(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CF3)	118.6040	0.000	1	117.1500	1.873	3	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0960	0.154	2	116.6972	0.299	6	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	117.2785	0.090	2	116.6972	0.299	6	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SNOO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.7170	0.252	2	116.6972	0.299	6	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SN[6]OO)	O(C[6a]C[6a]2)(CC[6]CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SN[6]OO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]CC)	121.3220	0.000	1	121.3220	0.000	1	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3){1|C<3>,1|H<1>,1|S<4>}	O(C[6a]C[6a]2)(CCHH)	116.0242	0.754	5	116.2677	0.811	6	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.4850	0.000	1	116.2677	0.811	6	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7680	0.000	1	116.4876	0.299	12	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SO3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	116.5530	0.522	11	116.4876	0.299	12	116.4515	1.196	47	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SN[6]OO)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SN[6]OO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	125.0480	0.000	1	125.0480	0.000	1	125.0480	0.000	1	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Si)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]2C)	O(C[6a]C[6a]2)(BN[6]OO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Si)(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]2C){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(BN[6]OO)	121.8673	1.363	3	121.8673	1.858	3	121.2523	1.429	15	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]2C)	O(C[6a]C[6a]2)(BN[6]OO)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(OB){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]2C){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(BN[6]OO)	119.8480	0.603	3	119.8480	0.364	3	121.2523	1.429	15	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]2C)	O(C[6a]C[6a]2)(BN[6]OO)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]2C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(BN[6]OO)	121.5460	0.289	6	121.5460	0.083	6	121.2523	1.429	15	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]2C)	O(C[6a]C[6a]2)(BO3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]2C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(BO3)	121.4543	1.930	3	121.4543	3.725	3	121.2523	1.429	15	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC[6a]3)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC[6a]3){3|C<3>}	O(C[6a]C[6a]2)(CHHO)	112.0675	0.398	2	112.0675	0.158	2	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]B)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]B)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC3){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	117.1350	0.000	1	117.1350	0.000	1	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]2C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]2C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7295	0.384	2	114.7295	0.147	2	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]CH)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6280	0.000	1	114.6280	0.000	1	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(SiC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(SiC3){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4040	0.000	1	114.4040	0.000	1	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(SiC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(SiC3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0270	0.882	2	115.0475	0.484	22	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(SiC3)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(SiC3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0495	0.703	20	115.0475	0.484	22	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(SiC[6a]2C)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(SiC[6a]2C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8240	1.253	2	114.8240	1.570	2	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(SiC[6a]2Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(SiC[6a]2Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1135	0.628	4	115.1560	1.031	6	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(SiC[6a]2Cl)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(SiC[6a]2Cl){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2410	1.987	2	115.1560	1.031	6	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(SiC[6a]CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(SiC[6a]CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0083	0.748	26	115.0083	0.560	26	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(SiC[6a]OO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(SiC[6a]OO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9675	0.945	2	114.9675	0.894	2	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(SiC[6a]SiN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(SiC[6a]SiN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6945	0.018	2	114.6945	0.000	2	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(SiC[6a]SiO)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(SiC[6a]SiO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.1520	0.195	2	114.1520	0.038	2	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]CC)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)2(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]CC){1|Si<4>,1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	118.3801	3.217	16	118.3801	10.352	16	115.5684	4.369	85	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC3)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC3){3|C<3>}	O(C[6a]C[6a]2)(PRhOO)	117.9303	0.565	4	117.9303	0.319	4	117.0250	1.724	13	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC[6a]3)	O(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC[6a]3){3|C<3>}	O(C[6a]C[6a]2)(PNOO)	116.4882	1.662	6	116.4882	2.763	6	117.0250	1.724	13	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC[6a]CC)	O(C[6a]C[6a]2)(PPdOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC[6a]CC){3|C<3>}	O(C[6a]C[6a]2)(PPdOO)	117.2060	0.515	2	117.2060	0.265	2	117.0250	1.724	13	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC3)	O(C[6a]C[6a]2)(PC[6a]2Ru)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(PC[6a]2Ru)	116.2630	0.000	1	116.2630	0.000	1	117.0250	1.724	13	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:S-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Si)(OS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(SiC[6a]CC)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Si)(OS){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(SiC[6a]CC){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(SCOO)	114.5080	0.000	1	114.5080	0.000	1	115.4947	3.116	9	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC3)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC3){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(SCOO)	115.6705	4.318	2	115.6705	18.648	2	115.4947	3.116	9	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC3)	O(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SC[6a]OO)	115.3905	0.077	2	115.3905	0.006	2	115.4947	3.116	9	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[5a]CC)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[5a]CC){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SCOO)	116.5020	1.239	2	116.5020	1.535	2	115.4947	3.116	9	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]2C)	O(C[6a]C[6a]2)(SFOO)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]2C){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(SFOO)	114.9090	0.984	2	114.9090	0.969	2	115.4947	3.116	9	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OSi)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC3)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OSi){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(SiC3){3|C<3>}	O(C[6a]C[6a]2)(SiC3)	116.3620	0.477	2	116.3620	0.227	2	116.3620	0.227	2	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.1950	0.000	1	118.1950	0.000	1	118.1215	0.121	4	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.3460	0.000	1	118.3460	0.000	1	118.1215	0.121	4	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|O<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	117.9725	0.514	2	117.9725	0.264	2	118.1215	0.121	4	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OC)	C[6a](C[6a]N[6a]O)2(CCCH)	O(C[6a]C[6a]N[6a])(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OC){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]O)2(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CCCH)	119.5165	1.531	2	119.5165	2.344	2	119.5165	2.344	2	117.5399	4.030	5138	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-5:	C[6a](C[6a]C[6a]C)2(ONb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(NbN[6]O3)	C[6a](C[6a]C[6a]C)2(ONb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(NbN[6]O3)	118.9547	0.824	6	118.9547	0.678	6	119.2151	0.574	12	119.1270	0.627	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-5:	C[6a](C[6a]C[6a]C)2(ONb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(NbC3O)	C[6a](C[6a]C[6a]C)2(ONb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(NbC3O)	119.4032	0.755	4	119.4032	0.571	4	119.2151	0.574	12	119.1270	0.627	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-5:	C[6a](C[6a]C[6a]C)2(ONb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(NbClCCO)	C[6a](C[6a]C[6a]C)2(ONb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(NbClCCO)	119.6200	0.574	2	119.6200	0.330	2	119.2151	0.574	12	119.1270	0.627	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:5:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-5:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(PC[6a]NiSS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(PC[6a]NiSS)	118.0700	0.000	1	118.0700	0.000	1	118.0700	0.000	1	119.1270	0.627	13	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:6:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-6:	C[6a](C[6a]C[6a]C)2(ONb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6a]C[6a]2)(NbCl3NO)	C[6a](C[6a]C[6a]C)2(ONb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(NbCl3NO)	120.9830	1.342	2	120.9830	1.801	2	118.7011	1.507	22	118.7011	1.507	22	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:6:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-6:	C[6a](C[6a]C[6a]C)2(ONb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(NbCl2OOP)	C[6a](C[6a]C[6a]C)2(ONb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(NbCl2OOP)	118.6785	0.959	6	118.6785	0.919	6	118.7011	1.507	22	118.7011	1.507	22	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:6:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-6:	C[6a](C[6a]C[6a]C)2(ONb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(NbCl3OO)	C[6a](C[6a]C[6a]C)2(ONb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(NbCl3OO)	118.5395	0.734	6	118.5395	0.539	6	118.7011	1.507	22	118.7011	1.507	22	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:6:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-6:	C[6a](C[6a]C[6a]C)2(ONb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]2)(NbN[6]Cl3O)	C[6a](C[6a]C[6a]C)2(ONb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(NbN[6]Cl3O)	118.0718	0.866	4	118.0718	0.751	4	118.7011	1.507	22	118.7011	1.507	22	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:6:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-6:	C[6a](C[6a]C[6a]C)2(ONb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	O(C[6a]C[6a]2)(NbCl3NO)	C[6a](C[6a]C[6a]C)2(ONb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(NbCl3NO)	117.0785	0.480	2	117.0785	0.231	2	118.7011	1.507	22	118.7011	1.507	22	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:6:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-6:	C[6a](C[6a]C[6a]C)2(ONb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]2)(NbCl4O)	C[6a](C[6a]C[6a]C)2(ONb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(NbCl4O)	119.8620	0.000	1	119.8620	0.000	1	118.7011	1.507	22	118.7011	1.507	22	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	3:6:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-6:	C[6a](C[6a]C[6a]C)2(ONb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	O(C[6a]C[6a]2)(NbCl4O)	C[6a](C[6a]C[6a]C)2(ONb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(NbCl4O)	119.8440	0.000	1	119.8440	0.000	1	118.7011	1.507	22	118.7011	1.507	22	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)	115.2840	0.000	1	115.2840	0.000	1	114.3770	0.346	12	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCHH)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	114.1750	0.386	10	114.1750	0.149	10	114.3770	0.346	12	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	115.4900	0.000	1	115.4900	0.000	1	114.3770	0.346	12	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|O<2>}	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	119.6520	0.000	1	119.6520	0.000	1	119.6520	0.000	1	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCHH){1|O<2>,2|C<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	122.0860	0.000	1	122.0860	0.000	1	117.8400	8.359	11	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6])	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH){1|O<2>,2|C<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	119.2570	0.663	4	119.2570	0.439	4	117.8400	8.359	11	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	115.8250	0.000	1	115.8250	0.000	1	117.8400	8.359	11	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	116.1260	0.000	1	116.1260	0.000	1	117.8400	8.359	11	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	O(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)	121.7370	0.000	1	121.7370	0.000	1	117.8400	8.359	11	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	114.4793	0.272	3	114.4793	0.074	3	117.8400	8.359	11	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OGa[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(Ga[6]N[5,6]O[6]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OGa[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(Ga[6]N[5,6]O[6]Cl)(C[6a]C[6a]2)	121.2480	0.000	1	121.2480	0.000	1	120.1190	2.549	2	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OGa[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(Ga[6]N[5,6]O[6]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OGa[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	O(Ga[6]N[5,6]O[6]Cl)(C[6a]C[6a]2)	118.9900	0.000	1	118.9900	0.000	1	120.1190	2.549	2	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(Ge[6]Ge[6]O[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(Ge[6]Ge[6]O[6]2)(C[6a]C[6a]2)	120.3760	0.000	1	120.3760	0.000	1	119.2510	0.739	4	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(Ge[6]Ge[6]O[6]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(Ge[6]Ge[6]O[6]N)(C[6a]C[6a]2)	119.2310	0.000	1	119.2310	0.000	1	119.2510	0.739	4	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(Ge[6]Ge[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(Ge[6]Ge[6]O[6]O)(C[6a]C[6a]2)	118.6985	0.583	2	118.6985	0.340	2	119.2510	0.739	4	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OIn[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(In[6]N[5,6]O[6]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OIn[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(In[6]N[5,6]O[6]I)(C[6a]C[6a]2)	121.1310	0.000	1	121.1310	0.000	1	120.2890	1.418	2	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OIn[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	O(In[6]N[5,6]O[6]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OIn[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	O(In[6]N[5,6]O[6]I)(C[6a]C[6a]2)	119.4470	0.000	1	119.4470	0.000	1	120.2890	1.418	2	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]O[5]2Rh)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|O<2>,2|C<3>}	O(P[5]O[5]2Rh)(C[6a]C[6a]2)	119.4975	1.107	2	119.4975	1.225	2	118.8480	1.338	16	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]C[5]N[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(P[5]C[5]N[5]O)(C[6a]C[6a]2)	118.4052	0.363	4	118.4052	0.132	4	118.8480	1.338	16	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(P[5]C[5]N[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(P[5]C[5]N[5]O)(C[6a]C[6a]2)	117.4477	0.621	4	117.4477	0.385	4	118.8480	1.338	16	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]O[5]2Ir)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(OP[5]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Ir<6>,1|C<3>,1|C<4>}	O(P[5]O[5]2Ir)(C[6a]C[6a]2)	120.0575	0.357	2	120.0575	0.128	2	118.8480	1.338	16	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]N[5,5]O[5]Pd)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(OP[5]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|Pd<4>,1|C<3>,1|C<4>}	O(P[5]N[5,5]O[5]Pd)(C[6a]C[6a]2)	119.7615	0.691	4	119.7615	0.477	4	118.8480	1.338	16	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[6,6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[6,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(P[6,6]C[3x6]2Pd)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[6,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	O(P[6,6]C[3x6]2Pd)(C[6a]C[6a]2)	119.2980	0.849	2	119.2980	0.720	2	119.2980	0.720	2	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[6]O[6]2Rh)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|H<1>,1|O<2>}	O(P[6]O[6]2Rh)(C[6a]C[6a]2)	117.3400	0.038	2	117.3400	0.001	2	118.7302	3.278	20	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	120.3353	0.908	6	120.3353	0.824	6	118.7302	3.278	20	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	117.9295	0.713	2	117.9295	0.509	2	118.7302	3.278	20	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(P[6]N[6]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(P[6]N[6]2Se)(C[6a]C[6a]2)	118.2052	1.952	10	118.2052	3.810	10	118.7302	3.278	20	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	Si[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(Si[4]N[4]2Ca)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|H<1>}	O(Si[4]N[4]2Ca)(C[6a]C[6a]2)	118.6540	0.000	1	118.6540	0.000	1	119.2105	0.619	2	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	Si[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(Si[4]N[4]2Sm)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|H<1>}	O(Si[4]N[4]2Sm)(C[6a]C[6a]2)	119.7670	0.000	1	119.7670	0.000	1	119.2105	0.619	2	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O)	O(CC[3,4,4]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2O){1|C<3>,2|H<1>}	O(CC[3,4,4]HH)(C[6a]C[6a]2)	116.4100	0.000	1	116.4100	0.000	1	116.4100	0.000	1	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Rh)	O(P[4]N[4]2Rh)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Rh){1|C<3>,2|H<1>}	O(P[4]N[4]2Rh)(C[6a]C[6a]2)	122.0145	1.162	2	122.0145	1.350	2	119.0710	12.051	4	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Se)	O(P[4]N[4]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2Se){1|C<3>,2|H<1>}	O(P[4]N[4]2Se)(C[6a]C[6a]2)	116.1275	0.381	2	116.1275	0.145	2	119.0710	12.051	4	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-4:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC[6])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	119.4550	0.000	1	119.4550	0.000	1	119.4550	0.000	1	118.0971	5.671	78	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	In[6,6]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OIn[6,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(In[6,6]O[6]4)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OIn[6,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	O(In[6,6]O[6]4)(C[6a]C[6a]2)	120.0020	0.148	2	120.0020	0.022	2	120.0020	0.022	2	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	Nb[3x6]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(ONb[3x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(Nb[3x6]N[3x6]N[6,6]2N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(ONb[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(Nb[3x6]N[3x6]N[6,6]2N)(C[6a]C[6a]2)	119.5015	0.592	2	119.5015	0.350	2	119.5015	0.350	2	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	Nb[5,5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(ONb[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(Nb[5,5]N[5,5]P[5]2C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(ONb[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(Nb[5,5]N[5,5]P[5]2C)(C[6a]C[6a]2)	119.5565	1.643	2	119.5565	2.698	2	119.5565	2.698	2	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]C[6a]N[5]O[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	O(P[5]C[6a]N[5]O[5]O)(C[6a]C[6a]2)	119.3525	0.343	2	119.3525	0.118	2	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]N[5]O[5]ClO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	O(P[5]N[5]O[5]ClO)(C[6a]C[6a]2)	120.9555	1.101	2	120.9555	1.212	2	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	118.6080	1.024	2	118.6080	1.048	2	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]N[5a]N[5]O[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	O(P[5]N[5a]N[5]O[5]O)(C[6a]C[6a]2)	120.8230	0.715	4	120.8230	0.511	4	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]O[5]2OO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	O(P[5]O[5]2OO)(C[6a]C[6a]2)	119.1640	0.569	2	119.0463	0.189	6	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]O[5]2OO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,1|C<4>,1|S<4>}	O(P[5]O[5]2OO)(C[6a]C[6a]2)	118.9875	0.440	4	119.0463	0.189	6	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]C[6a]N[5]O[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(P[5]C[6a]N[5]O[5]O)(C[6a]C[6a]2)	119.8825	0.142	2	119.8825	0.020	2	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]C[6a]O[5]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(P[5]C[6a]O[5]2O)(C[6a]C[6a]2)	120.0290	0.239	2	120.0290	0.057	2	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	118.3832	0.489	6	118.3832	0.239	6	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]N[5a]N[5]O[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(P[5]N[5a]N[5]O[5]O)(C[6a]C[6a]2)	119.7455	0.193	2	119.7455	0.037	2	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]O[5]2NO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(P[5]O[5]2NO)(C[6a]C[6a]2)	119.4607	1.104	6	119.4607	1.219	6	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3)	O(P[5]O[5]2OO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC3){1|C<3>,2|C<4>}	O(P[5]O[5]2OO)(C[6a]C[6a]2)	119.1372	0.505	4	119.1372	0.255	4	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(P[5]O[5]2OO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(P[5]O[5]2OO)(C[6a]C[6a]2)	118.4422	1.297	6	118.4422	1.683	6	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(P[5]C[6a]N[5]O[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(P[5]C[6a]N[5]O[5]O)(C[6a]C[6a]2)	117.0400	0.109	2	117.0400	0.012	2	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(P[5]C[6a]O[5]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(P[5]C[6a]O[5]2O)(C[6a]C[6a]2)	116.5975	0.005	2	116.5975	0.000	2	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	117.8943	1.195	6	117.8943	1.427	6	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(P[5]N[5a]N[5]O[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(P[5]N[5a]N[5]O[5]O)(C[6a]C[6a]2)	116.3590	0.349	2	116.3590	0.122	2	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(P[5]O[5]2NO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(P[5]O[5]2NO)(C[6a]C[6a]2)	116.8142	1.945	6	116.8142	3.784	6	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(P[5]O[5]2OO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(P[5]O[5]2OO)(C[6a]C[6a]2)	117.3175	0.475	4	117.3175	0.226	4	118.5833	2.294	66	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:S-4:	P[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO)	O(P[5]O[5]2OO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO){1|C<3>,2|C<4>}	O(P[5]O[5]2OO)(C[6a]C[6a]2)	120.0747	0.452	4	120.0747	0.204	4	120.0747	0.204	4	118.7489	2.230	76	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	Nb[5,5]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)2(ONb[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(Nb[5,5]N[5,5]P[5]2CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(ONb[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(Nb[5,5]N[5,5]P[5]2CC)(C[6a]C[6a]2)	119.2950	1.079	2	119.2950	1.164	2	119.1737	0.484	4	119.0494	0.322	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	Nb[5,5]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)2(ONb[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(Nb[5,5]N[5,5]P[5]2CO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(ONb[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(Nb[5,5]N[5,5]P[5]2CO)(C[6a]C[6a]2)	119.0525	0.479	2	119.0525	0.229	2	119.1737	0.484	4	119.0494	0.322	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	Nb[5]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)2(ONb[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(Nb[5]O[5]2Cl2N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(ONb[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(Nb[5]O[5]2Cl2N)(C[6a]C[6a]2)	118.8725	0.581	2	118.8725	0.337	2	118.8725	0.337	2	119.0494	0.322	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	Si[4x6]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[4x6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[4x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	118.9060	0.000	1	118.9060	0.000	1	118.9060	0.000	1	119.0494	0.322	7	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:5:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-5:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiTiCCN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiTiCCN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7190	0.181	4	114.7190	0.033	4	115.1254	0.300	10	115.1254	0.300	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:3:5:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Si-5:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiZrCCN)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiZrCCN){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3963	0.548	6	115.3963	0.300	6	115.1254	0.300	10	115.1254	0.300	10	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.4360	0.000	1	124.4360	0.000	1	123.2527	2.483	3	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]O[6a]O){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.4640	0.000	1	122.6610	2.866	2	123.2527	2.483	3	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]O[6a]O){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	123.8580	0.000	1	122.6610	2.866	2	123.2527	2.483	3	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6a]2H)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6a]2H)(C[6a]O[6a]O){6|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	118.3740	0.000	1	118.3740	0.000	1	120.1180	14.419	3	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]C)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]C)(C[6a]O[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	124.4740	0.000	1	124.4740	0.000	1	120.1180	14.419	3	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.5060	0.000	1	117.5060	0.000	1	120.1180	14.419	3	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[3,5]C[5]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[3,5]C[5]C)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	O(C[6a]C[6a]2)(H)	119.7210	0.000	1	119.7210	0.000	1	119.7210	0.000	1	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]N[6]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]N[6]H)(C[6a]C[6a]O){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	115.9320	0.000	1	115.9320	0.000	1	115.9320	0.000	1	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(OH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	122.8885	0.725	2	122.8885	0.525	2	122.8885	0.525	2	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.2795	2.537	4	122.2795	6.438	4	122.7559	1.310	21	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[5]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[5]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.9564	0.490	5	122.9564	0.241	5	122.7559	1.310	21	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	122.8312	0.656	12	122.8312	0.431	12	122.7559	1.310	21	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O){4|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	118.4305	0.241	2	118.4305	0.058	2	120.6486	6.500	8	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O){1|N<3>,3|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	122.7223	0.538	3	121.1560	10.007	4	120.6486	6.500	8	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	116.4570	0.000	1	121.1560	10.007	4	120.6486	6.500	8	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]P[5]Fe)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|Fe<10>,1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]P[5]Fe)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	120.9430	0.000	1	120.9430	0.000	1	120.6486	6.500	8	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]P[5]Ru)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|Ru<10>,1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]P[5]Ru)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	122.7610	0.000	1	122.7610	0.000	1	120.6486	6.500	8	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	118.5700	0.920	3	119.9647	8.346	4	119.9647	8.346	4	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	124.1490	0.000	1	119.9647	8.346	4	119.9647	8.346	4	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[5,6a]H)(CC[6a]N[5a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(CC[6a]N[5a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.6170	0.136	2	117.6170	0.018	2	117.6170	0.018	2	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]O){7|C<3>}	O(C[6a]C[6a]2)(H)	118.0880	3.848	2	118.0880	14.808	2	118.0880	14.808	2	121.4016	6.526	47	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[5,6a]H)(CC[5a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(CC[5a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CCO)	117.7555	0.235	2	117.7555	0.055	2	117.7555	0.055	2	117.7555	0.055	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[5]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CH3)	120.6415	0.539	4	120.6415	0.291	4	120.6415	0.291	4	117.2491	3.623	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OC)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OC){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(CH3)	117.5200	0.000	1	117.5200	0.000	1	117.5200	0.000	1	117.2491	3.623	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(OS)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(OS){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]O){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	O(C[6a]C[6a]2)(SCOO)	117.7010	0.000	1	117.7010	0.000	1	117.7010	0.000	1	117.2491	3.623	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	114.3240	0.000	1	114.3240	0.000	1	114.3240	0.000	1	117.2491	3.623	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]O){2|H<1>,3|C<4>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	117.4900	0.000	1	117.4900	0.000	1	116.2788	0.546	8	117.2491	3.623	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8580	0.000	1	115.8580	0.000	1	116.2788	0.546	8	117.2491	3.623	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0955	0.054	2	116.0955	0.003	2	116.2788	0.546	8	117.2491	3.623	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(C[6a]C[6a]O){2|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5850	0.000	1	116.5850	0.000	1	116.2788	0.546	8	117.2491	3.623	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]P[5]Ru)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|Ru<10>,1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]P[5]Ru)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	117.0920	0.000	1	117.0920	0.000	1	116.2788	0.546	8	117.2491	3.623	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5]C[3,5]O[5]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5]C[3,5]O[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5070	0.406	2	115.5070	0.165	2	116.2788	0.546	8	117.2491	3.623	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	116.6867	0.417	3	116.6867	0.174	3	116.6867	0.174	3	117.2491	3.623	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]2Ti)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC){1|Ti<8>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]2Ti)(C[6a]C[6a]O){3|C<3>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	117.9760	0.000	1	117.9760	0.000	1	117.9760	0.000	1	117.2491	3.623	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]P[6])(C[6]C[6]2Pd)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Pd<4>,1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6]C[6]2Pd)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	115.7830	0.000	1	115.7830	0.000	1	115.7830	0.000	1	117.2491	3.623	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	3:4:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P[6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C[6])(P[6]C[6,6]2Pd)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(P[6]C[6,6]2Pd)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>,6|C<4>}	O(C[6a]C[6a]2)(CH3)	116.0720	0.000	1	116.0720	0.000	1	116.0720	0.000	1	117.2491	3.623	21	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:O[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]O)(O[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>}	O(C[6a]C[6a]2)(H)	119.1170	0.000	1	119.1170	0.000	1	119.1170	0.000	1	119.1955	0.012	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:2:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:O[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a]O[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6]C[5a,6]C[4x6]H)(C[6a]C[6a]O)(O[6a]C[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]O[6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6]C[5a,6]C[4x6]H)(C[6a]C[6a]O)(O[6a]C[6a]){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.2740	0.000	1	119.2740	0.000	1	119.2740	0.000	1	119.1955	0.012	2	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:2:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(OC){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.6090	0.000	1	116.6090	0.000	1	116.6090	0.000	1	116.6090	0.000	1	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(OH)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(OH){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	118.8130	0.000	1	118.8130	0.000	1	118.8130	0.000	1	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OH){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	124.5570	0.000	1	124.5570	0.000	1	124.5570	0.000	1	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OH)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	115.1080	0.000	1	115.1080	0.000	1	115.1080	0.000	1	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6,6a]O)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6,6a]C[6a])(H)	117.7790	0.000	1	117.7790	0.000	1	117.7790	0.000	1	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|N<3>,1|O<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	125.0150	0.000	1	125.0150	0.000	1	125.0150	0.000	1	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	117.0920	0.000	1	117.0920	0.000	1	120.8392	6.419	4	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	121.8680	0.000	1	121.8680	0.000	1	120.8392	6.419	4	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|C<4>,5|C<3>}	O(C[6a]C[6a,6a]C[6a])(H)	122.1985	0.680	2	122.1985	0.462	2	120.8392	6.419	4	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	As[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](As[6a]C[6a,6a]2Pd)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OH){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](As[6a]C[6a,6a]2Pd)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	117.3840	0.000	1	117.3840	0.000	1	117.3080	0.012	2	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	As[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OH)	C[6a](As[6a]C[6a,6a]2Pt)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OH){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](As[6a]C[6a,6a]2Pt)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	117.2320	0.000	1	117.2320	0.000	1	117.3080	0.012	2	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	122.7870	0.000	1	122.7870	0.000	1	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	122.5560	0.000	1	121.2237	4.301	4	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.7797	2.295	3	121.2237	4.301	4	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.2250	0.000	1	118.4045	2.782	2	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(H)	119.5840	0.000	1	118.4045	2.782	2	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	118.0110	0.000	1	118.0110	0.000	1	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	124.1730	2.202	2	124.1730	4.848	2	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.3690	0.000	1	117.4243	0.004	3	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	117.4870	0.000	1	117.4243	0.004	3	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(H)	117.4170	0.000	1	117.4243	0.004	3	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	121.7805	0.138	2	121.7805	0.019	2	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(H)	117.5930	0.000	1	117.5930	0.000	1	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>}	C[6a](CC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(H)	123.3610	0.000	1	123.3610	0.000	1	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.5585	3.911	4	119.5585	15.293	4	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(OH)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(H)	119.3618	3.058	12	119.3618	9.353	12	119.9458	8.621	33	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,5|C<4>,6|H<1>}	O(C[6a]C[6a]2)(H)	119.4660	1.693	3	119.4660	2.865	3	119.4660	2.865	3	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(OH)	C[6a](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(OH){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[6a](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,2|O<2>,3|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.6230	0.000	1	118.6230	0.000	1	118.6230	0.000	1	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,5|C<4>}	O(C[6a]C[6a]2)(H)	116.0960	0.000	1	116.0960	0.000	1	119.1085	18.150	2	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5,6]N[5,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	C[6a](C[5,6]N[5,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[6a]2)(H)	122.1210	0.000	1	122.1210	0.000	1	119.1085	18.150	2	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.6190	0.000	1	116.6190	0.000	1	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,4|C<4>}	O(C[6a]C[6a]2)(H)	120.0495	0.227	2	120.2173	0.110	3	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,5|C<4>}	O(C[6a]C[6a]2)(H)	120.5530	0.000	1	120.2173	0.110	3	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OH)	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Cl<1>,1|C<3>,4|C<4>}	O(C[6a]C[6a]2)(H)	122.2230	0.000	1	122.2230	0.000	1	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	O(C[6a]C[6a]2)(H)	123.2715	0.192	2	123.2715	0.037	2	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	123.2120	0.000	1	120.1505	18.746	2	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.0890	0.000	1	120.1505	18.746	2	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	121.9410	0.000	1	121.9410	0.000	1	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){3|C<3>,3|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	122.8560	0.000	1	119.2030	10.160	3	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){3|C<3>,3|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.3765	0.551	2	119.2030	10.160	3	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(H)	124.5580	0.000	1	124.5580	0.000	1	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	122.3340	0.000	1	121.0450	3.323	2	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(H)	119.7560	0.000	1	121.0450	3.323	2	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	123.1250	0.000	1	122.7073	0.137	3	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	122.4985	0.112	2	122.7073	0.137	3	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	117.7810	0.000	1	117.7810	0.000	1	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.6740	0.000	1	118.6740	0.000	1	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O(C[6a]C[6a]2)(H)	122.4080	0.000	1	118.9580	8.978	3	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	117.0060	0.000	1	118.9580	8.978	3	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.4600	0.000	1	118.9580	8.978	3	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.3990	0.000	1	117.3990	0.000	1	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	118.0130	0.000	1	118.0130	0.000	1	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(H)	122.6080	0.000	1	122.6080	0.000	1	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(H)	122.7300	0.000	1	122.7300	0.000	1	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	118.1450	0.000	1	118.1450	0.000	1	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Rh<6>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	116.4860	0.000	1	116.4860	0.000	1	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	116.6990	0.000	1	116.6990	0.000	1	120.1957	6.996	31	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6,6]C[3x6]2N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6,6]C[3x6]2N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|C<4>,4|H<1>}	O(C[6a]C[6a]2)(H)	120.7090	0.000	1	120.7090	0.000	1	120.7090	0.000	1	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	119.0020	0.000	1	119.0020	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	115.9545	0.554	2	115.9545	0.307	2	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6,6a]O)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	121.6610	0.000	1	121.6610	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6]C[6]2Mo)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){1|Mo<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]2Mo)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	119.5570	0.000	1	119.5570	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(C[6a]N[6a]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(H)	121.8713	0.065	3	121.8713	0.004	3	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Br<1>,1|S<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.5700	0.000	1	117.5700	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|Cl<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	122.7175	0.149	2	122.7175	0.022	2	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|N<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	118.3880	0.000	1	118.3880	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,5|C<3>}	O(C[6a]C[6a]2)(H)	122.2600	0.000	1	122.2600	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.3565	0.076	2	116.3565	0.006	2	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	120.3140	0.000	1	120.3140	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(H)	120.0180	0.204	2	120.0180	0.041	2	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.1720	0.000	1	117.1720	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	116.5460	0.000	1	116.5460	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	122.2027	0.436	3	122.2027	0.190	3	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	117.3870	0.000	1	117.3870	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	119.2542	2.663	4	119.2542	7.090	4	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	116.7417	0.362	3	116.7417	0.131	3	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	121.0860	0.591	2	121.0860	0.349	2	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]2Fe)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|Fe<11>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]2Fe)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(H)	117.1950	0.000	1	117.1950	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	121.8989	0.243	8	120.0182	6.017	21	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,5|H<1>}	O(C[6a]C[6a]2)(H)	122.0840	0.141	2	120.0182	6.017	21	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	117.8160	0.000	1	120.0182	6.017	21	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	121.7170	0.164	2	120.0182	6.017	21	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6a]2)(H)	121.4920	0.000	1	120.0182	6.017	21	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|N<3>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.5740	0.000	1	120.0182	6.017	21	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,5|H<1>}	O(C[6a]C[6a]2)(H)	117.2820	0.000	1	120.0182	6.017	21	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(H)	118.0420	0.000	1	120.0182	6.017	21	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	116.5660	0.030	2	120.0182	6.017	21	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	116.6255	0.366	2	120.0182	6.017	21	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2{1|N<3>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	121.2375	0.110	2	121.2375	0.012	2	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(H)	118.6040	0.000	1	118.6040	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(H)	116.2180	0.000	1	116.2180	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.3510	0.000	1	117.3510	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.9230	0.000	1	117.9230	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(H)	117.8770	0.000	1	117.8770	0.000	1	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(H)	117.9735	0.606	2	117.9735	0.367	2	119.4618	5.651	64	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	P-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	C[6a](PC[6a]C[5]B)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C[6a](PC[6a]C[5]B)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(H)	124.4560	0.000	1	124.4560	0.000	1	124.4560	0.000	1	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OH)	C[6a](P[6]C[6,6a]2O)(C[6a]C[6a]F)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](P[6]C[6,6a]2O)(C[6a]C[6a]F)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(H)	122.6410	0.000	1	122.6410	0.000	1	122.6410	0.000	1	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:1:	C[6a]-3:N[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(OH)	C[6a](CC[6a]C[6]H)(C[6a]N[6a]O)2	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(OH){1|N<3>,2|O<1>}	C[6a](CC[6a]C[6]H)(C[6a]N[6a]O)2{1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])(H)	124.9690	0.000	1	124.9690	0.000	1	124.9690	0.000	1	119.8463	7.102	149	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC[6a])	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]2)2	120.7410	0.284	2	120.7410	0.081	2	120.7410	0.081	2	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a])	C[6a](C[4]C[4,5]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[4]C[4,5]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)2	121.9283	2.002	3	121.9283	4.009	3	121.9283	4.009	3	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]O)	118.7883	0.647	4	118.7883	0.419	4	118.9302	0.423	9	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CCO)	119.5320	0.000	1	119.4240	0.023	2	118.9302	0.423	9	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	119.3160	0.000	1	119.4240	0.023	2	118.9302	0.423	9	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCO)	118.8980	0.000	1	118.3895	0.517	2	118.9302	0.423	9	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CCO)	117.8810	0.000	1	118.3895	0.517	2	118.9302	0.423	9	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCO)	119.5920	0.000	1	119.5920	0.000	1	118.9302	0.423	9	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)2	120.8520	0.000	1	120.8520	0.000	1	119.8871	7.825	9	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)2	122.9720	0.000	1	118.9167	3.519	7	119.8871	7.825	9	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)2	117.8520	0.000	1	118.9167	3.519	7	119.8871	7.825	9	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)2	118.0847	0.466	4	118.9167	3.519	7	119.8871	7.825	9	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)2	119.2540	0.000	1	118.9167	3.519	7	119.8871	7.825	9	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)2	125.7150	0.000	1	125.7150	0.000	1	119.8871	7.825	9	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC[6a]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)2	120.6440	0.000	1	120.6440	0.000	1	120.6440	0.000	1	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCO)	117.7970	0.000	1	117.7970	0.000	1	117.7970	0.000	1	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)2	119.7010	0.000	1	119.7010	0.000	1	119.7010	0.000	1	119.7987	4.042	26	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(OC)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(OC){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.9135	1.573	2	117.9135	2.475	2	117.9135	2.475	2	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OS)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[5a,6a]C[6a])(SCOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OS){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(SCOO)	120.4480	0.000	1	120.4480	0.000	1	121.2015	1.136	2	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(OS)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[5a,6a]C[6a])(SCOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(OS){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(SCOO)	121.9550	0.000	1	121.9550	0.000	1	121.2015	1.136	2	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	As[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](As[6a]C[6a,6a]2Cu)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](As[6a]C[6a,6a]2Cu)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4800	0.000	1	115.4800	0.000	1	114.9172	0.290	4	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	As[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](As[6a]C[6a,6a]2Pd)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](As[6a]C[6a,6a]2Pd)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CCCH)	114.1850	0.000	1	114.1850	0.000	1	114.9172	0.290	4	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	As[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC)	C[6a](As[6a]C[6a,6a]2Pt)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](As[6a]C[6a,6a]2Pt)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CCCH)	115.0020	0.044	2	115.0020	0.002	2	114.9172	0.290	4	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	B[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]B[6,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](B[6,6]N[3x6]O[6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]B[6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	C[6a](B[6,6]N[3x6]O[6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3310	0.000	1	115.3310	0.000	1	115.3310	0.000	1	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](CC[5,6,6]HH)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](CC[5,6,6]HH)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.1670	0.304	2	115.1670	0.092	2	116.8954	3.794	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	120.3050	0.000	1	120.3050	0.000	1	116.8954	3.794	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0450	0.242	2	115.0450	0.058	2	116.8954	3.794	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	116.0670	0.000	1	116.0670	0.000	1	116.8954	3.794	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.6120	1.102	2	115.6120	1.214	2	116.8954	3.794	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4855	0.318	4	115.5252	0.084	5	116.8954	3.794	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CH3)	115.6840	0.000	1	115.5252	0.084	5	116.8954	3.794	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]O)2{1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2765	0.954	2	115.2765	0.910	2	116.8954	3.794	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(OC)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CH3)	119.0494	0.312	8	119.0494	0.097	8	116.8954	3.794	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(OC)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	121.0905	1.908	2	121.0905	3.642	2	118.3146	10.042	5	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1220	0.191	2	115.1220	0.036	2	118.3146	10.042	5	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CHHO)	119.1480	0.000	1	119.1480	0.000	1	118.3146	10.042	5	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,6|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5160	0.000	1	116.5160	0.000	1	116.9807	0.176	3	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,3|C<4>,7|H<1>}	O(C[6a]C[6a]2)(CH3)	117.3300	0.000	1	117.2130	0.027	2	116.9807	0.176	3	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,7|H<1>}	O(C[6a]C[6a]2)(CH3)	117.0960	0.000	1	117.2130	0.027	2	116.9807	0.176	3	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OP)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(PRhOO)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OP){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,5|C<4>,6|H<1>}	O(C[6a]C[6a]2)(PRhOO)	118.3070	0.670	2	118.3070	0.449	2	118.3070	0.449	2	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[4,5]C[4,5]C[4]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6a](C[4,5]C[4,5]C[4]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|I<1>,2|C<3>,3|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0970	0.000	1	116.0970	0.000	1	116.0970	0.000	1	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.2999	0.716	12	115.2999	0.512	12	115.2019	0.528	14	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.6135	0.648	2	114.6135	0.420	2	115.2019	0.528	14	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1910	0.000	1	115.1910	0.000	1	115.6380	0.400	2	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0850	0.000	1	116.0850	0.000	1	115.6380	0.400	2	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,7|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5180	0.000	1	115.5180	0.000	1	115.5180	0.000	1	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1770	0.000	1	116.1770	0.000	1	116.1770	0.000	1	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,6|C<4>}	O(C[6a]C[6a]2)(CH3)	116.3960	0.550	2	116.3960	0.303	2	116.5423	0.216	3	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<4>,1|O<2>,3|C<4>,6|H<1>}	O(C[6a]C[6a]2)(CH3)	116.8350	0.000	1	116.8350	0.000	1	116.5423	0.216	3	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[5]C[6a]C[5]O[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){2|O<2>,8|C<3>}	O(C[6a]C[6a]2)(CH3)	121.8600	0.000	1	121.8600	0.000	1	121.8600	0.000	1	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(OC)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3950	0.011	2	115.3950	0.000	2	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,3|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CH3)	114.3560	0.000	1	114.3560	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	114.9890	0.000	1	114.9890	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.4460	0.000	1	115.4460	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1940	0.000	1	115.8223	0.310	3	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0910	0.000	1	115.8223	0.310	3	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1820	0.000	1	115.8223	0.310	3	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[5a]HH)	118.0850	0.000	1	118.0850	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.0900	0.000	1	115.0900	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.3307	0.332	8	114.3307	0.110	8	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6,6]S[5]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|S<4>,2|O<2>}	C[6a](C[5]C[5,6,6]S[5]H)(C[6a]C[6a]O)2{1|C<4>,2|H<1>,2|O<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2975	0.469	2	116.2975	0.220	2	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]C[5]Fe)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|Fe<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]C[5]Fe)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	115.2618	0.732	4	115.2618	0.535	4	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.1090	0.000	1	115.1090	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2{2|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9265	0.605	2	115.4428	0.497	10	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2{3|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2990	0.338	2	115.4428	0.497	10	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2{1|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9962	0.415	6	115.4428	0.497	10	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9810	0.000	1	115.0545	0.011	2	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1280	0.000	1	115.0545	0.011	2	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3970	0.000	1	115.3970	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.7710	0.000	1	114.7710	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8150	0.185	2	114.8150	0.034	2	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]O)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0305	1.122	2	116.0305	1.259	2	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|O<2>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]O)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.6555	0.576	2	116.6555	0.332	2	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5850	0.000	1	115.5850	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0050	0.000	1	116.0050	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CCHH)	121.1490	0.000	1	121.1490	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.7680	0.000	1	115.7680	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.9410	0.000	2	114.9410	0.000	2	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6300	0.000	1	115.6300	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.6330	0.000	1	115.6330	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9785	0.680	2	115.4536	0.822	11	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0250	0.000	1	115.4536	0.822	11	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6980	0.037	2	115.4536	0.822	11	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8780	0.000	1	115.4536	0.822	11	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	114.9070	0.000	1	115.4536	0.822	11	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1590	0.000	1	115.4536	0.822	11	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5425	2.125	2	115.4536	0.822	11	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5830	0.000	1	115.4536	0.822	11	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.2577	0.884	3	115.2577	0.781	3	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	116.5980	0.000	1	116.5980	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.6240	0.477	2	114.9750	0.483	3	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6770	0.000	1	114.9750	0.483	3	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CCHH)	115.5560	0.000	1	116.7542	1.451	5	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CCHH)	116.0560	0.000	1	116.7542	1.451	5	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.7180	0.021	2	116.7542	1.451	5	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	118.7230	0.000	1	116.7542	1.451	5	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.1070	0.000	1	114.1070	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0710	0.000	1	116.0710	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	117.6890	0.000	1	117.6890	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	114.7260	0.157	3	114.7260	0.025	3	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	114.5115	0.862	2	114.5115	0.743	2	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.0750	0.000	1	119.0750	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	119.3860	0.000	1	119.3860	0.000	1	115.5763	1.581	86	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OSi)	C[6a](C[5]C[5,6,6]S[5]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OSi){1|C<3>,1|C<4>,1|H<1>,1|S<4>,2|O<2>}	C[6a](C[5]C[5,6,6]S[5]H)(C[6a]C[6a]O)2{1|C<4>,2|H<1>,2|O<1>,4|C<3>}	O(C[6a]C[6a]2)(SiC3)	118.7925	0.241	2	118.7925	0.058	2	118.7925	0.058	2	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2{2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	118.8520	0.000	1	118.8520	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(OC)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	114.4845	0.589	2	114.4845	0.347	2	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6040	0.000	1	115.5127	0.090	3	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.7560	0.000	1	115.5127	0.090	3	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1780	0.000	1	115.5127	0.090	3	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	115.8430	0.000	1	115.8430	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|N<3>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2060	0.000	1	115.2060	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5530	0.491	2	115.6650	0.158	3	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.8890	0.000	1	115.6650	0.158	3	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	117.1610	0.000	1	116.2180	0.995	9	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	117.9860	0.000	1	116.2180	0.995	9	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	O(C[6a]C[6a]2)(CH3)	116.0790	0.000	1	116.2180	0.995	9	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[6a]2)(CH3)	115.3110	0.000	1	116.2180	0.995	9	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8270	0.000	1	116.2180	0.995	9	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4170	0.000	1	116.2180	0.995	9	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|S<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1690	0.000	1	116.2180	0.995	9	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.9270	0.000	1	116.2180	0.995	9	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.0850	0.000	1	116.2180	0.995	9	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.2931	0.477	10	115.3720	0.224	12	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.7665	0.187	2	115.3720	0.224	12	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.8233	0.506	4	115.9152	0.234	5	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2830	0.000	1	115.9152	0.234	5	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7790	0.000	1	115.5605	0.095	2	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3420	0.000	1	115.5605	0.095	2	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	116.5740	0.000	1	116.5740	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	117.3830	1.764	2	116.8222	1.784	4	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<4>,1|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2615	0.992	2	116.8222	1.784	4	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6880	0.000	1	115.6880	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6550	0.000	1	115.6550	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1260	0.000	1	116.1260	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9750	0.000	1	115.5000	0.261	3	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|O<2>}	O(C[6a]C[6a]2)(CH3)	114.9590	0.000	1	115.5000	0.261	3	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5660	0.000	1	115.5000	0.261	3	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2{2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	115.1920	0.000	1	115.1920	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2{1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.4425	0.278	2	115.4425	0.077	2	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.1380	0.000	1	116.1380	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.3620	0.000	1	115.6615	0.179	2	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.9610	0.000	1	115.6615	0.179	2	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]2Pd)(C[6a]C[6a]O)(C[6a]C[6a]P)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Pd<4>,1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6]C[6]2Pd)(C[6a]C[6a]O)(C[6a]C[6a]P){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.6890	0.222	4	115.8216	0.125	5	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]2Pd)(C[6a]C[6a]O)(C[6a]C[6a]P)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Pd<5>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6]C[6]2Pd)(C[6a]C[6a]O)(C[6a]C[6a]P){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3520	0.000	1	115.8216	0.125	5	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CCHH)	119.0760	0.000	1	116.6307	2.080	7	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	115.6270	0.412	2	116.6307	2.080	7	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	116.0060	0.000	1	116.6307	2.080	7	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CCHH)	115.8875	0.153	2	116.6307	2.080	7	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.3040	0.000	1	116.6307	2.080	7	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5860	0.000	1	115.8197	0.695	16	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	116.4220	0.000	1	115.8197	0.695	16	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	114.8600	0.000	1	115.8197	0.695	16	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7785	1.206	2	115.8197	0.695	16	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.5180	0.000	1	115.8197	0.695	16	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.0570	0.000	1	115.8197	0.695	16	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.9610	0.037	2	115.8197	0.695	16	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6240	0.105	2	115.8197	0.695	16	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	116.5370	0.283	2	115.8197	0.695	16	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.2400	0.000	1	115.8197	0.695	16	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	114.8160	0.525	2	115.8197	0.695	16	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2850	0.011	2	115.5680	0.151	6	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2{1|N<3>,3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	115.9635	0.047	2	115.5680	0.151	6	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2{3|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	115.4555	0.506	2	115.5680	0.151	6	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<2>,1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	115.1090	0.000	1	114.7437	0.959	3	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CH3)	114.5610	1.311	2	114.7437	0.959	3	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.4210	0.110	2	114.4210	0.012	2	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|O<2>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2{1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CH3)	115.5860	0.010	2	115.5860	0.000	2	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	116.2988	0.314	6	116.2988	0.099	6	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	116.3480	0.000	1	116.3480	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Se<2>,1|C<3>,1|O<2>,1|P<4>,2|H<1>}	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<1>,1|Se<2>,1|P<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.1330	0.000	1	116.1330	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CCHH)	118.5410	0.000	1	118.9520	0.338	2	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CCHH)	119.3630	0.000	1	118.9520	0.338	2	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CH3)	117.9190	0.000	1	117.9190	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	120.1750	0.000	1	120.1750	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	118.7890	0.000	1	118.7890	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CH3)	119.0555	0.166	2	119.0555	0.028	2	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CH3)	118.9730	0.000	1	118.9730	0.000	1	116.0472	1.427	113	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SNOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(SNOO)	121.9230	0.000	1	121.9230	0.000	1	121.9230	0.000	1	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OSi)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OSi){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	O(C[6a]C[6a]2)(SiC3)	120.5420	0.000	1	120.5420	0.000	1	120.5420	0.000	1	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	P-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](PC[4,6]C[6a]Pd)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](PC[4,6]C[6a]Pd)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.3717	0.309	4	116.3717	0.095	4	115.8588	0.382	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	P-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](PC[6a]C[4]Cu)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](PC[6a]C[4]Cu)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7943	0.735	8	115.7943	0.541	8	115.8588	0.382	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	P-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](PC[6a]C[4]Pt)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](PC[6a]C[4]Pt)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2205	0.330	4	115.2205	0.109	4	115.8588	0.382	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	P-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](PC[6a]C[5]B)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](PC[6a]C[5]B)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.6990	0.000	1	115.6990	0.000	1	115.8588	0.382	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	P-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](PC[6a]C[6]Mo)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C[6a](PC[6a]C[6]Mo)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7595	0.006	2	115.7595	0.000	2	115.8588	0.382	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	P-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C[6a](PC[6a]C[6]Rh)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6a](PC[6a]C[6]Rh)(C[6a]C[6a]O)2{1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	116.2030	0.507	4	116.2030	0.258	4	115.8588	0.382	23	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC)	C[6a](P[5]N[5,5]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](P[5]N[5,5]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	116.8740	0.000	1	116.8740	0.000	1	116.1247	2.039	3	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC)	C[6a](P[5]N[5,5]N[5]O)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6a](P[5]N[5,5]N[5]O)(C[6a]C[6a]O)2{2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.4780	0.000	1	114.4780	0.000	1	116.1247	2.039	3	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC)	C[6a](P[5]N[5,5]N[5]O)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6a](P[5]N[5,5]N[5]O)(C[6a]C[6a]O)2{2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(CH3)	117.0220	0.000	1	117.0220	0.000	1	116.1247	2.039	3	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	P[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](P[6,6]C[4,6,6]C[6,6]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6a](P[6,6]C[4,6,6]C[6,6]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|P<4>,2|C<4>,3|C<3>,5|H<1>}	O(C[6a]C[6a]2)(CH3)	115.7050	0.716	4	115.7050	0.513	4	115.7050	0.513	4	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC)	C[6a](P[6]C[6,6a]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CC[3]HH)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](P[6]C[6,6a]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(CC[3]HH)	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	Si-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	C[6a](SiC[5a]C[6a]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](SiC[5a]C[6a]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CH3)	115.2700	0.000	1	115.2700	0.000	1	115.2700	0.000	1	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	Si[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(OC)	C[6a](Si[6]C[6a]C[6]2)(C[6a]C[6a]O)2	O(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|O<2>}	C[6a](Si[6]C[6a]C[6]2)(C[6a]C[6a]O)2{2|C<4>,3|C<3>,6|H<1>}	O(C[6a]C[6a]2)(CH3)	114.6545	0.409	2	114.6545	0.168	2	114.6545	0.168	2	116.0745	2.345	302	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(CC[6a]N[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N[5]H)(C[6a]C[6a]2)	121.7750	0.000	1	121.7750	0.000	1	121.7750	0.000	1	122.0712	20.849	4	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC[6])	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	115.7230	0.000	1	115.7230	0.000	1	115.7230	0.000	1	122.0712	20.849	4	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6])	C[6a](C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]2)	125.5970	0.000	1	125.5970	0.000	1	125.3935	0.083	2	122.0712	20.849	4	119.8647	13.887	101339	119.8010	13.821	104708
643	643	893	0:SP2_SP2_SP2	C[6a]	C[6a]	O	3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6])	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	125.1900	0.000	1	125.1900	0.000	1	125.3935	0.083	2	122.0712	20.849	4	119.8647	13.887	101339	119.8010	13.821	104708